SCHEMBL90504

SCHEMBL90504

CCc1c[nH]c2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.69
KMT2A Q03164 4/20 0.69
CYP3A4 P08684 3/20 0.69
MAPT P10636 2/20 0.69
AHR P35869 1/20 0.69
GPR84 Q9NQS5 1/20 0.69
TDP1 Q9NUW8 1/20 0.69
KDM4E B2RXH2 3/20 0.65
ALDH1A1 P00352 3/20 0.65
HSD17B10 Q99714 2/20 0.65
HPGD P15428 1/20 0.65
CYP2D6 P10635 2/20 0.63
TSHR P16473 1/20 0.63
CYP2C19 P33261 1/20 0.63
HTR2A P28223 6/20 0.61
HTR1A P08908 4/20 0.61
HTR6 P50406 3/20 0.61
HTR2C P28335 3/20 0.60
HTR1D P28221 2/20 0.60
HTR1B P28222 2/20 0.60

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
SCHEMBL29413080 1.00 MEN1 (0.69) MEN1KMT2ACYP3A4MAPTAHR
Dimethylamine SCHEMBL27471470 0.92 MEN1 (0.66) MEN1KMT2ACYP3A4MAPTAHR
Acetic Acid SCHEMBL8374511 0.91 KMT2A (0.63) MEN1KMT2ACYP3A4MAPTAHR
Phosphoric Acid SCHEMBL22235321 0.91 MEN1 (0.58) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL30688540 0.86 MEN1 (0.57) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL10481528 0.86 MEN1 (0.57) MEN1KMT2ACYP3A4MAPTAHR
Ethoxycarbonyl Group SCHEMBL27785547 0.85 PKM (0.55) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL29414676 0.83 HTR2A (0.72) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL91128 0.83 HTR2A (0.72) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL6524121 0.83 MEN1 (0.69) MEN1KMT2ACYP3A4MAPTAHR

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 2803 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116396291-A Application of 1-amide and 1-hydrazide substituted beta-carboline derivative as agricultural bactericide 南京农业大学 2023-07-07 CN claimed
CN-116284021-A Compounds having therapeutic effect on bladder cancer 湖南大学 2023-06-23 CN claimed
CN-112574092-B Green novel method for preparing 2-diaryl methyl substituted indole compound 湖南理工学院 2022-08-30 CN claimed
US-11021454-B2 Type of aryl benzofuran amidated derivative and medical use thereof CHINA PHARMACEUTICAL UNIVERSITY (CN) 2021-06-01 US claimed
CN-112574092-A Green novel method for preparing 2-diaryl methyl substituted indole compound 湖南理工学院 2021-03-30 CN claimed
CN-111747981-A Transition metal compound and preparation method and application thereof 万华化学集团股份有限公司 2020-10-09 CN claimed
CN-110156729-A A kind of phenylpiperazine class UBE2F micromolecular inhibitor and its synthetic method 浙江大学 2019-08-23 CN claimed
US-20190040029-A1 A type of aryl benzofuran amidated derivative and medical use thereof CHINA PHARMACEUTICAL UNIVERSITY (CN) 2019-02-07 US claimed
CN-107586284-A A kind of purposes of 2 arylbenzofuran analog derivative in gout medicine is prepared 中国药科大学 2018-01-16 CN claimed
WO-2017160361-A1 POLYISOCYANURATE CATALYSTS FOR METAL PANELS AND SPRAY FOAMS HUNTSMAN PETROCHEMICAL LLC (US) 2017-09-21 WO claimed
EP-1214330-A1 BENZIMIDAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-06-19 EP claimed
WO-2001021634-A1 BENZIMIDAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-03-29 WO claimed
EP-0773024-A2 Use of N-substituted nicotinamide compounds for the treatment of acute and chronic inflammatory diseases PFIZER INC. (US) 1997-05-14 EP claimed
US-5393760-A Cardiovascular disorders, antitumor agents HOFFMANN-LA ROCHE INC. (US) 1995-02-28 US claimed
EP-0468231-B1 Guanidins HOFFMANN LA ROCHE (CH) 1994-09-21 EP claimed
US-5260307-A Inhibit thrombin-induced platlet aggregation and clotting of fibrogen in plasma HOFMANN-LA ROCHE INC. (US) 1993-11-09 US claimed
EP-0357316-B1 ANTIDEPRESSANT N-SUBSTITUTED NICOTINAMIDE COMPOUNDS PFIZER INC. (US) 1993-04-14 EP claimed
EP-0422178-A1 PYRIMIDINE DERIVATIVES. ICI PLC (GB) 1991-04-17 EP claimed
EP-0357316-A1 Antidepressant N-substituted nicotinamide compounds PFIZER INC. (US) 1990-03-07 EP claimed
US-4861891-A Antidepressant N-substituted nicotinamide compounds PFIZER INC. (US) 1989-08-29 US claimed