SCHEMBL7546022

SCHEMBL7546022

CCN(C(N)=O)c1nc2ccc(-c3ccc(Cl)s3)cc2s1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.41
▸ LIPG Q9Y5X9 1/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MITF O75030 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ GRIN1 Q05586 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ EPHX2 P34913 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ PIK3CA P42336 1/20 0.36

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
SCHEMBL7534511 0.82 ALDH1A1 (0.51) MAPTKMT2ALMNAEPHX2ALDH1A1
SCHEMBL7539138 0.78 SMN1; SMN2 (0.48) MAPTKMT2ALMNAALDH1A1HTT
SCHEMBL7535208 0.77 MAPK1 (0.50) MAPTKMT2AMITFLMNAHTT
SCHEMBL6068038 0.76 LMNA (0.49) MAPTKMT2ALMNATP53SMN1; SMN2
SCHEMBL7545220 0.76 HSD17B10 (0.45) ALDH1A1
SCHEMBL7247636 0.74 DYRK1A (0.51) LMNA
SCHEMBL7534938 0.74 LMNA (0.47) MAPTKMT2ALMNATP53SMN1; SMN2
SCHEMBL1842323 0.74 NPC1 (0.52) MAPTKMT2ALMNAALDH1A1TP53
SCHEMBL7540147 0.74 KMT2A (0.55) MAPTKMT2ALMNAALDH1A1HTT
Hydrochloric Acid SCHEMBL1844041 0.73 NPC1 (0.51) MAPTKMT2AMITFLMNAALDH1A1

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
CN-1422262-A 2-benzothiazolyl urea derivatives and their use as protein kinase inhibitors ABBOTT GMBH & CO KG (DE) 2003-06-04 — — CN disclosed
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
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