SCHEMBL4485751

SCHEMBL4485751

NC(=O)c1cc([N+](=O)[O-])ccc1F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.60
ALDH1A1 P00352 7/20 0.55
HIF1A Q16665 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.54
TSHR P16473 2/20 0.52
LMNA P02545 2/20 0.51
POLB P06746 2/20 0.50
MITF O75030 1/20 0.50
RAB9A P51151 3/20 0.49
CYP3A4 P08684 3/20 0.49
ALOX15 P16050 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
PKM P14618 1/20 0.48
GAA P10253 1/20 0.47
NPC1 O15118 2/20 0.47
ATM Q13315 1/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13844206 1.00 KMT2A (0.60) KMT2AALDH1A1HIF1ASMN1; SMN2TSHR
SCHEMBL114077 0.86 KMT2A (0.65) KMT2AALDH1A1HIF1ASMN1; SMN2TSHR
SCHEMBL29288675 0.84 KMT2A (0.63) KMT2AALDH1A1HIF1ASMN1; SMN2TSHR
SCHEMBL25090606 0.84 ALDH1A1 (0.53) KMT2AALDH1A1HIF1ASMN1; SMN2TSHR
SCHEMBL1654660 0.84 ALDH1A1 (0.59) KMT2AALDH1A1HIF1ASMN1; SMN2LMNA
SCHEMBL195145 0.84 ALDH1A1 (0.59) KMT2AALDH1A1HIF1ASMN1; SMN2LMNA
SCHEMBL6398309 0.83 KMT2A (0.71) KMT2AALDH1A1SMN1; SMN2TSHRLMNA
Silver SCHEMBL887047 0.82 ALDH1A1 (0.55) KMT2AALDH1A1HIF1ASMN1; SMN2LMNA
SCHEMBL2832 0.82 ALDH1A1 (0.55) KMT2AALDH1A1HIF1ASMN1; SMN2LMNA
SCHEMBL284069 0.82 ALDH1A1 (0.55) KMT2AALDH1A1HIF1ASMN1; SMN2TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105820124-B A kind of synthetic method for replacing Buddhist nun than Buddhist nun 湖南欧亚药业有限公司 2018-09-04 CN claimed
CN-105820124-A Synthesizing method for binimetinib 湖南欧亚生物有限公司 2016-08-03 CN claimed
EP-1126833-A4 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES INC (US) 2004-09-08 EP claimed
EP-1150565-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION bioscience AG (DE) 2001-11-07 EP claimed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP claimed
WO-2000045635-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2000-08-10 WO claimed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO claimed
CN-119899184-A Beta-carboline compound, preparation method thereof and application thereof in resisting Alzheimer disease 中国人民解放军北部战区总医院 2025-04-29 CN disclosed
CN-110072842-A Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 美国陶氏益农公司 2019-07-30 CN disclosed
CN-110003076-A Sulfamoyl pyrrole amides derivative and its purposes for being used to treat hepatitis B as drug 爱尔兰詹森科学公司 2019-07-12 CN disclosed
CN-109608443-A Heterocycleamide as protein modulator 葛兰素史密斯克莱知识产权发展有限公司 2019-04-12 CN disclosed
CN-109563081-A It can be used as the heterocycleamide class of protein modulators 葛兰素史克知识产权开发有限公司 2019-04-02 CN disclosed
CN-105452220-B Sulfamoyl pyrrole amide derivative and application thereof as medicine for treating hepatitis B 爱尔兰詹森科学公司 2019-01-25 CN disclosed
US-6531491-B1 Methods of treating cancer and other disease states associated with unwanted angiogenesis and/or cellular proliferation, such as diabetic retinopathy, neovascular glaucoma, rheumatoid arthritis, and psoriasis, AGOURON PHARAMACEUTICALS, INC. 2003-03-11 US disclosed
EP-1218348-A2 INDAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PROTEIN KINASES, AND METHODS FOR THEIR USE AGOURON PHARMACEUTICALS, INC. (US) 2002-07-03 EP disclosed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP disclosed
WO-2001002369-A2 INDAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PROTEIN KINASES, AND METHODS FOR THEIR USE AGOURON PHARMACEUTICALS, INC. (US) 2001-01-11 WO disclosed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO disclosed
EP-0119892-B1 HYDROXYL AMINE DERIVATIVES, THEIR PREPARATION, THEIR USE AS GROWTH FACTORS FOR VEGETABLES AND COMPOSITIONS THEREOF ROUSSEL-UCLAF (FR) 1986-08-13 EP disclosed
EP-0119892-A1 Hydroxyl amine derivatives, their preparation, their use as growth factors for vegetables and compositions thereof ROUSSEL-UCLAF (FR) 1984-09-26 EP disclosed