SCHEMBL7601537

SCHEMBL7601537

CCN(C(N)=O)c1nc2c(s1)-c1[nH]ccc1CC2

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.35
ALDH1A1 P00352 1/20 0.34
SLC27A1 Q6PCB7 1/20 0.30
RAB9A P51151 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
SCHEMBL7540660 0.73 ALDH1A1 (0.48) ALDH1A1SLC27A1RAB9A
SCHEMBL7542661 0.69 ALDH1A1 (0.36) ALDH1A1
SCHEMBL7545430 0.68 ALOX5 (0.32) SLC27A1
SCHEMBL11359838 0.64 ALOX15 (0.39) ALDH1A1SLC27A1RAB9A
SCHEMBL7540486 0.63 SLC27A1 (0.33) ALDH1A1SLC27A1
SCHEMBL1842323 0.63 NPC1 (0.52) ALDH1A1RAB9A
Hydrochloric Acid SCHEMBL1844041 0.62 NPC1 (0.51) ALDH1A1RAB9A
SCHEMBL7539138 0.60 SMN1; SMN2 (0.48) ALDH1A1RAB9A
SCHEMBL7535208 0.59 MAPK1 (0.50) RAB9A
SCHEMBL7534511 0.59 ALDH1A1 (0.51) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254123-A1 2-BENZOTHIAZOLYL UREA DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS Abbott GmbH & Co. KG (DE) 2002-11-06 EP disclosed
WO-2001057008-A1 2-BENZOTHIAZOLYL UREA DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS ABBOTT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG & COMPANY KOMMANDITGESELLSCHAFT (DE) 2001-08-09 WO disclosed