SCHEMBL1840804

SCHEMBL1840804

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

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 9/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL1842109 0.87 MAPK1 (0.43) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL1844060 0.86 ABL1 (0.40) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL4541483 0.84 ABL1 (0.39) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL1842805 0.84 ABL1 (0.38) ABL1NPC1RAB9ASMN1; SMN2
Lithium SCHEMBL1842811 0.84 ABL1 (0.38) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL2183120 0.83 SCD (0.38) ABL1NPC1RAB9ASMN1; SMN2
Lithium Ion SCHEMBL1842806 0.83 ABL1 (0.38) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL1846100 0.83 ABL1 (0.38) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL1841659 0.82 NPC1 (0.43) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL1841588 0.82 — —

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
EP-2321309-A1 BENZOTHIAZOLES AND AZA-ANALOGUES THEREOF USE AS ANTIBACTERIAL AGENTS Ranbaxy Laboratories Limited (IN) 2011-05-18 — — EP disclosed
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