SCHEMBL8886141

SCHEMBL8886141

[c]1ccccc1C1=Cc2cccc3cccc1c23

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ATM Q13315 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CES2 O00748 1/20 0.34
BCHE P06276 1/20 0.34
CES1 P23141 1/20 0.34
MCL1 Q07820 1/20 0.34
CASP1 P29466 2/20 0.34
CASP7 P55210 2/20 0.34
CYP3A4 P08684 1/20 0.34
PABPC1 P11940 1/20 0.34
DNMT1 P26358 1/20 0.34
S100A4 P26447 1/20 0.34
TP53 P04637 1/20 0.33

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
SCHEMBL28962436 0.78 MAPK1 (0.55) MAPK1MEN1MAPTKMT2AALDH1A1
SCHEMBL710465 0.78 MAPK1 (0.39) MAPK1MEN1MAPTKMT2AALDH1A1
SCHEMBL5351846 0.74 MAPK1 (0.39) MAPK1MEN1MAPTKMT2AALDH1A1
SCHEMBL4560752 0.73 MAPK1 (0.52) MAPK1MEN1MAPTKMT2AALDH1A1
SCHEMBL8886149 0.72 MAPK1 (0.47) MAPK1MEN1MAPTKMT2AALDH1A1
SCHEMBL28330820 0.72 PTPN1 (0.56) MAPK1MEN1MAPTKMT2AALDH1A1
SCHEMBL8886599 0.70 MAPK1 (0.49) MAPK1MEN1MAPTKMT2AALDH1A1
SCHEMBL8883107 0.70 MAPK1 (0.44) MAPK1MEN1MAPTKMT2AALDH1A1
SCHEMBL28071724 0.70 MAPK1 (0.53) MAPK1MEN1MAPTKMT2AALDH1A1
SCHEMBL28329591 0.70 MAPK1 (0.41) MAPK1MEN1MAPTKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5650410-A ANTIINFLAMMATORY AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-07-22 US disclosed
EP-0749426-A1 QUINOLINE OR QUINAZOLINE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS, IN PARTICULAR FOR TREATING ARTHRITIS Takeda Chemical Industries, Ltd. (JP) 1996-12-27 EP disclosed
WO-1995024394-A1 QUINOLINE OR QUINAZOLINE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS, IN PARTICULAR FOR TREATING ARTHRITIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-09-14 WO disclosed