SCHEMBL7914533

SCHEMBL7914533

COC(=O)Cc1nc(N2CCN(C)CC2)sc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
GPX4 P36969 3/20 0.36
MAPT P10636 3/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
DNM1L O00429 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TRPV4 Q9HBA0 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34

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
SCHEMBL7922690 0.85 ALDH1A1 (0.51) GAANPC1RAB9APPARGPPARA
SCHEMBL7914512 0.82 PPARG (0.46) GAANPC1PPARGKMT2ASMN1; SMN2
SCHEMBL4401435 0.78 PPARG (0.51) GAAPPARGPPARAKMT2AGPX4
SCHEMBL7922424 0.76 PPARG (0.41) RAB9APPARGPPARAKMT2AALDH1A1
SCHEMBL2827987 0.73 GAA (0.56) GAANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL820906 0.71 GAA (0.55) GAANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL750253 0.70 GAA (0.54) GAANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4896669 0.69 RXFP1 (0.44) PPARGPPARAKMT2ASMN1; SMN2MAPT
SCHEMBL4389495 0.68 PPARG (0.54) PPARGPPARA
SCHEMBL6114067 0.68 PIK3CD (0.54) GAARAB9AKMT2ASMN1; SMN2MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023191400-A1 ETHYL PIPERIDINE TRIAZOLO TRIAZINE DERIVATIVES, SYNTHESIS METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME FOR PREVENTION OR TREATMENT OF CANCER 에이치케이이노엔 주식회사 2023-10-05 WO disclosed
US-6294580-B1 FOR THERAPY AND PROPHYLAXIS OF TYPE II OR NON-INSULIN DEPENDENT DIABETES MELLITUS, HYPERGLYCAEMIA, DYSLIPIDEMIA, TYPE II DIABETES, TYPE I DIABETES, HYPERTRIGLYCERIDEMIA, SYNDROME X, INSULIN RESISTANCE, HEART FAILURE GLAXO WELLCOME INC. 2001-09-25 US disclosed
EP-0888317-B1 SUBSTITUTED 4-HYDROXY-PHENYLALCANOIC ACID DERIVATIVES WITH AGONIST ACTIVITY TO PPAR-GAMMA GLAXO GROUP LTD (GB) 2001-09-12 EP disclosed
EP-0888317-A1 SUBSTITUTED 4-HYDROXY-PHENYLALCANOIC ACID DERIVATIVES WITH AGONIST ACTIVITY TO PPAR-GAMMA GLAXO GROUP LIMITED (GB) 1999-01-07 EP disclosed
WO-1997031907-A1 SUBSTITUTED 4-HYDROXY-PHENYLALCANOIC ACID DERIVATIVES WITH AGONIST ACTIVITY TO PPAR-GAMMA GLAXO GROUP LIMITED (GB) 1997-09-04 WO disclosed