SCHEMBL4540031

SCHEMBL4540031

CCNC(=O)Nc1nc2c(F)c(-c3ccc(CC(=O)O)cc3)cc(-c3ccccn3)c2s1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 10/20 0.43
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ WNT3A P56704 1/20 0.38
▸ FGFR1 P11362 1/20 0.37
▸ SRC P12931 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ GFER P55789 1/20 0.37

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
Lithium SCHEMBL1843160 0.99 ABL1 (0.43) ABL1NPC1RAB9ASMN1; SMN2WNT3A
SCHEMBL1843157 0.99 ABL1 (0.43) ABL1NPC1RAB9ASMN1; SMN2WNT3A
Lithium Ion SCHEMBL1843158 0.92 ABL1 (0.43) ABL1NPC1RAB9ASMN1; SMN2WNT3A
SCHEMBL1843890 0.90 ABL1 (0.45) ABL1NPC1RAB9ASMN1; SMN2FGFR1
SCHEMBL1842937 0.89 ABL1 (0.44) ABL1NPC1RAB9ASMN1; SMN2FGFR1
Lithium SCHEMBL1842944 0.89 ABL1 (0.44) ABL1NPC1RAB9ASMN1; SMN2FGFR1
SCHEMBL4540453 0.88 MEN1 (0.44) ABL1NPC1RAB9ASMN1; SMN2
Lithium SCHEMBL1843211 0.87 MEN1 (0.43) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL1843204 0.87 MEN1 (0.43) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL1842327 0.87 ABL1 (0.41) ABL1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009156966-A1 BENZOTHIAZOLES AND AZA-ANALOGUES THEREOF USE AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2009-12-30 — — WO disclosed
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