SCHEMBL9111503

SCHEMBL9111503

[CH2]CCCCc1ccc2csccc1-2

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP2E1 P05181 1/20 0.31
CYP2A6 P11509 1/20 0.31
CYP2B6 P20813 1/20 0.31
TDO2 P48775 1/20 0.30
CYP17A1 P05093 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL2091183 0.87 MEN1 (0.34) MEN1USP2MAPTALOX15KMT2A
SCHEMBL27329701 0.83 MEN1 (0.38) MEN1USP2MAPTALOX15KMT2A
SCHEMBL2092294 0.81 ESR1 (0.31) CYP2E1CYP2A6CYP2B6CYP17A1CYP11B1
SCHEMBL8051996 0.80 MEN1 (0.36) MEN1USP2MAPTALOX15KMT2A
SCHEMBL2097574 0.73 CYP2E1 (0.30) CYP2E1CYP2A6CYP2B6
SCHEMBL6598549 0.72 MEN1 (0.39) MEN1USP2MAPTALOX15KMT2A
SCHEMBL28141334 0.72 USP2 (0.39) MEN1USP2MAPTALOX15KMT2A
SCHEMBL28104229 0.72 MEN1 (0.36) MEN1USP2MAPTALOX15KMT2A
SCHEMBL2095499 0.70 MEN1 (0.42) MEN1USP2MAPTALOX15KMT2A
SCHEMBL2096400 0.70 TAAR1 (0.54) MEN1MAPTKMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1114834-A antidiabetic agent OTSUKA PHARMA CO LTD (JP) 1996-01-10 CN disclosed
US-5459142-A Autoimmune disease, atherosclerosis, antiischemic agents and nephritis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-10-17 US disclosed
EP-0670831-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-09-13 EP disclosed
WO-1995009159-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-04-06 WO disclosed
EP-0511879-B1 Pyrazine derivatives OTSUKA PHARMA CO LTD (JP) 1995-03-22 EP disclosed
EP-0511879-A1 Pyrazine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-04 EP disclosed