SCHEMBL87813

SCHEMBL87813

O=CNc1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.56
KDM4E B2RXH2 5/20 0.52
GAA P10253 2/20 0.52
ALDH1A1 P00352 5/20 0.50
HPGD P15428 3/20 0.50
TSHR P16473 3/20 0.50
CYP3A4 P08684 2/20 0.50
HSD17B10 Q99714 2/20 0.50
TP53 P04637 1/20 0.50
ALOX15 P16050 1/20 0.50
CDC25B P30305 1/20 0.50
ATM Q13315 1/20 0.50
KEAP1 Q14145 1/20 0.50
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
RECQL P46063 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 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
SCHEMBL28218656 0.98 PABPC1 (0.55) PABPC1KDM4EGAAALDH1A1HPGD
Hydrochloric Acid SCHEMBL28740125 0.98 PABPC1 (0.55) PABPC1KDM4EGAAALDH1A1HPGD
SCHEMBL17054695 0.88 HPRT1 (0.52) PABPC1KDM4EGAAALDH1A1HPGD
SCHEMBL29506423 0.86 PABPC1 (0.59) PABPC1KDM4EGAAALDH1A1HPGD
SCHEMBL15453221 0.86 PABPC1 (0.59) PABPC1KDM4EGAAALDH1A1HPGD
SCHEMBL16319787 0.84 PABPC1 (0.54) PABPC1KDM4EGAAALDH1A1HPGD
SCHEMBL5568841 0.82 ALDH1A1 (0.50) PABPC1KDM4EGAAALDH1A1HPGD
SCHEMBL11537315 0.81 PABPC1 (0.64) PABPC1KDM4EGAAALDH1A1TSHR
SCHEMBL15949880 0.79 KDM4E (0.48) PABPC1KDM4EGAAALDH1A1HPGD
SCHEMBL28124446 0.79 PABPC1 (0.41) PABPC1ALDH1A1HPGDTSHRCYP3A4

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

Appears in 3491 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116253683-B Polymerizable humidity and pH responsive fluorescent molecular switch and preparation method and application thereof 北京大学 2024-12-03 CN claimed
CN-118598766-A Method for preparing C-7-formamido substituted p-methylene quinone compound 湖南理工学院 2024-09-06 CN claimed
CN-116253683-A Polymerizable humidity and pH responsive fluorescent molecular switch and preparation method and application thereof 北京大学 2023-06-13 CN claimed
CN-114805085-A Novel synthesis method for preparing 1-naphthylamine as medical intermediate 浙江工业大学 2022-07-29 CN claimed
CN-114105805-A Method for preparing formamide compound under catalysis of titanium dioxide 陕西延长石油(集团)有限责任公司 2022-03-01 CN claimed
EP-3743061-A1 CANNABINOIDS AND DERIVATIVES FOR PROMOTING IMMUNOGENICITY OF TUMOR AND INFECTED CELLS Pascal Biosciences Inc. (CA) 2020-12-02 EP claimed
WO-2019144126-A1 CANNABINOIDS AND DERIVATIVES FOR PROMOTING IMMUNOGENICITY OF TUMOR AND INFECTED CELLS PASCAL BIOSCIENCES INC. (CA) 2019-07-25 WO claimed
US-9935269-B2 Electroluminescence element Konica Minolta, Inc. (JP) 2018-04-03 US claimed
EP-2581373-A1 BENZO- OR PYRIDO-IMIDAZOLE DERIVATIVE Fujita, Takashi (JP) 2013-04-17 EP claimed
US-8415486-B2 IAP inhibitors TETRALOGIC PHARMACEUTICALS CORP. (US) 2013-04-09 US claimed
US-4414395-A REACTING AN IMINOISOINDOLE WITH HYDRAZINE CIBA-GEIGY CORPORATION (US) 1983-11-08 US claimed
EP-0076024-A1 Fluidising agent IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-04-06 EP claimed
US-4377570-A Immunologically active dipeptidyl saccharides and methods of preparation MERCK & CO., INC. (US) 1983-03-22 US claimed
EP-0014159-B1 IMMUNOLOGICALLY ACTIVE DIPEPTIDYL SACCHARIDES AND METHODS OF PREPARATION MERCK & CO. INC. (US) 1982-07-14 EP claimed
US-4256735-A BACTERICIDES MERCK & CO., INC. (US) 1981-03-17 US claimed
EP-0022481-A1 5,6-Alkylenepyrimidine derivatives, processes for preparing the same and pharmaceutical compositions Mitsubishi Yuka Pharmaceutical Co., Ltd. (JP) 1981-01-21 EP claimed
US-4245088-A Novel 3-acyloxymethyl-cephem compounds useful as intermediates for preparing cephalosporin antibiotics TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-01-13 US claimed
EP-0014159-A1 Immunologically active dipeptidyl saccharides and methods of preparation MERCK & CO. INC. (US) 1980-08-06 EP claimed
US-4166178-A 3-ACYLOXYMETHYL-CEPHEM COMPOUNDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1979-08-28 US claimed
EP-0002826-A1 Novel phosphoramidothioate derivatives, pesticidal compositions containing them, processes for preparing the novel derivatives and the use of the novel derivatives for combating pests ROHM AND HAAS COMPANY (US) 1979-07-11 EP claimed