SCHEMBL4541483

SCHEMBL4541483

CCNC(=O)Nc1nc2c(F)c(-c3cnn(CC(=O)O)c3)cc(-c3ccccn3)c2s1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 4/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CREBBP Q92793 1/20 0.38
▸ FGFR1 P11362 1/20 0.37
▸ SRC P12931 1/20 0.37
▸ PDK2 Q15119 2/20 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
Lithium SCHEMBL1842811 0.99 ABL1 (0.38) ABL1NPC1RAB9ASMN1; SMN2CREBBP
SCHEMBL1842805 0.99 ABL1 (0.38) ABL1NPC1RAB9ASMN1; SMN2CREBBP
Lithium Ion SCHEMBL1842806 0.92 ABL1 (0.38) ABL1NPC1RAB9ASMN1; SMN2CREBBP
SCHEMBL1844060 0.89 ABL1 (0.40) ABL1NPC1RAB9ASMN1; SMN2FGFR1
SCHEMBL1842109 0.89 MAPK1 (0.43) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL1846100 0.86 ABL1 (0.38) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL1840804 0.84 ABL1 (0.39) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL1841588 0.83 — —
SCHEMBL1841659 0.83 NPC1 (0.43) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL2183120 0.83 SCD (0.38) 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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