SCHEMBL334956

SCHEMBL334956

CCCc1ccccc1C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 2/20 0.47
NR1I2 O75469 1/20 0.47
CHRM2 P08172 1/20 0.47
CYP3A4 P08684 1/20 0.47
ADRA2A P08913 1/20 0.47
OPRK1 P41145 1/20 0.47
HTR2B P41595 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TSHR P16473 1/20 0.47
FOLH1 Q04609 1/20 0.44
METAP2 P50579 1/20 0.44
CTNNB1 P35222 1/20 0.43

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
Hydrochloric Acid SCHEMBL7763898 0.98 KMT2A (0.46) KMT2AMAPTLMNAMEN1NR1I2
Formic Acid SCHEMBL5398974 0.93 KMT2A (0.43) KMT2AMAPTLMNAMEN1NR1I2
Fumaric Acid SCHEMBL5586486 0.90 KDM4E (0.49) KMT2AMAPTLMNAMEN1NR1I2
Fumaric Acid SCHEMBL5586483 0.90 KDM4E (0.49) KMT2AMAPTLMNAMEN1NR1I2
SCHEMBL1002853 0.89 MAPT (0.53) KMT2AMAPTLMNAMEN1NR1I2
SCHEMBL4735612 0.87 ALDH1A1 (0.54) KMT2AMAPTLMNAMEN1CYP3A4
Hydrochloric Acid SCHEMBL15954597 0.87 MAPT (0.51) KMT2AMAPTLMNAMEN1NR1I2
Bromide SCHEMBL4760758 0.87 MAPT (0.51) KMT2AMAPTLMNAMEN1NR1I2
SCHEMBL1004433 0.87 CYP3A4 (0.55) KMT2AMAPTLMNAMEN1NR1I2
Benzene SCHEMBL28299279 0.87 KMT2A (0.51) KMT2AMAPTLMNAMEN1NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3625227-B1 BENZOFURANE AND BENZOTHIOPHENE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2022-09-14 EP claimed
EP-3625227-A1 BENZOFURANE AND BENZOTHIOPHENE DERIVATIVES AS PGE2 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2020-03-25 EP claimed
CN-110511215-A A kind of aryl piperazines/piperidines and application thereof UNIV FUDAN 2019-11-29 CN claimed
CN-110167556-A Thio-hydantoin androgen receptor antagonist for treating cancer 詹森药业有限公司 2019-08-23 CN claimed
CN-104837832-B GDF-8 inhibitors 里格尔药品股份有限公司 2019-04-26 CN claimed
WO-2018210987-A1 BENZOFURANE AND BENZOTHIOPHENE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2018-11-22 WO claimed
CN-106573898-B Treat and prevent hepatitis b virus infected new pyridazinone and triazinone 豪夫迈·罗氏有限公司 2018-11-09 CN claimed
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
EP-3303291-A1 ROR GAMMA (ROR ) MODULATORS Lead Pharma Holding B.V. (NL) 2018-04-11 EP claimed
CN-107698569-A Connection pyrazole derivatives as JAK inhibitor 因赛特公司 2018-02-16 CN claimed
CN-1121448-C Polyethylene terephthalate (PET) pipe material and its preparation method INST OF CHEMISTRY CHIENSE ACAD (CN) 2003-09-17 CN 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
EP-1104404-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 2001-06-06 EP claimed
CN-1263128-A Polyethylene terephthalate (PET) pipe material and its preparation method CHINESE ACAD INST CHEMISTRY (CN) 2000-08-16 CN 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
WO-2000009486-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSIVANTS SMITHKLINE BEECHAM P.L.C. (GB) 2000-02-24 WO claimed
EP-0934264-A1 PYRROLIDINYL AND PYRROLINYL ETHYLAMINE COMPOUNDS AS KAPPA AGONISTS PFIZER INC. (US) 1999-08-11 EP claimed
WO-1998012177-A1 PYRROLIDINYL AND PYRROLINYL ETHYLAMINE COMPOUNDS AS KAPPA AGONISTS PFIZER INC. (JP) 1998-03-26 WO claimed