SCHEMBL7534938

SCHEMBL7534938

CCN(C(N)=O)c1nc2ccc(CCN)cc2s1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
TP53 P04637 3/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 2/20 0.43
KMT2A Q03164 2/20 0.42
UBE2N P61088 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL6068038 0.90 LMNA (0.49) LMNATP53NPC1RAB9AKMT2A
SCHEMBL7539138 0.85 SMN1; SMN2 (0.48) LMNATP53NPC1RAB9AKMT2A
SCHEMBL7534511 0.81 ALDH1A1 (0.51) LMNATP53KMT2AMEN1MAPT
SCHEMBL7535208 0.81 MAPK1 (0.50) LMNANPC1RAB9AKMT2AUBE2N
SCHEMBL7247636 0.78 DYRK1A (0.51) LMNANPC1RAB9A
SCHEMBL1842323 0.78 NPC1 (0.52) LMNATP53NPC1RAB9AKMT2A
SCHEMBL7540147 0.77 KMT2A (0.55) LMNANPC1RAB9AKMT2AMAPT
Hydrochloric Acid SCHEMBL1844041 0.77 NPC1 (0.51) LMNATP53NPC1RAB9AKMT2A
SCHEMBL7538356 0.76 LMNA (0.41) LMNATP53MAPT
SCHEMBL27566816 0.75 NPC1 (0.44) LMNATP53NPC1RAB9AKMT2A

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