SCHEMBL3251950

SCHEMBL3251950

Cn1c(N)nc2ccc(Oc3cccc(NC(=O)O)c3)cc21

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 16/20 0.48
CHEK2 O96017 1/20 0.47
CDK8 P49336 2/20 0.46
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
NFKB1 P19838 1/20 0.45
RAB9A P51151 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45

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
SCHEMBL3245490 0.81 KDR (0.53)
SCHEMBL2193045 0.78 PPARG (0.44) PPARGCHEK2
SCHEMBL5351075 0.76 CHEK2 (0.48) PPARGCHEK2
SCHEMBL5153495 0.75 ALDH1A1 (0.58) CDK8NPC1LMNAMAPTRAB9A
SCHEMBL3245305 0.74 KDR (0.50) CDK8LMNA
SCHEMBL3250424 0.73 NR4A1 (0.52) CDK8NPC1LMNAMAPTRAB9A
SCHEMBL6392968 0.72 MITF (0.69) NPC1LMNAMAPTRAB9A
SCHEMBL2864280 0.72 CDK8 (0.76) CDK8
SCHEMBL3244600 0.71 CDK8 (0.48) CDK8NPC1LMNAMAPTRAB9A
SCHEMBL2858588 0.70 KDR (0.50) CDK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2181987-B9 2-Carbonylaminobenzothiazoles and their use for the prophylaxis and treatment of cancer TAKEDA PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
EP-2181987-B1 2-Carbonylaminobenzothiazoles and their use for the prophylaxis and treatment of cancer TAKEDA PHARMACEUTICAL (JP) 2014-03-05 EP disclosed
US-8324395-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-04 US disclosed
EP-2181987-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-05-05 EP disclosed