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SCHEMBL16975209

SCHEMBL16975209

CCNC(=O)Nc1nc2cc(-c3cnc(NS(=O)(=O)C4CC4)nc3)cc(-c3ccccn3)c2s1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ABL1 P00519 5/20 0.41
▸ CTPS1 P17812 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
SCHEMBL16975345 0.90 NPC1 (0.45) NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL16975202 0.90 NPC1 (0.45) NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL16975217 0.89 NPC1 (0.38) NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL16975482 0.88 NPC1 (0.44) NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL16975411 0.88 NPC1 (0.44) NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL16975295 0.87 NPC1 (0.43) NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL16975375 0.87 NPC1 (0.43) NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL16975333 0.86 NPY5R (0.41) NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL16975376 0.85 NPC1 (0.41) NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL16975282 0.85 ABL1 (0.40) NPC1RAB9ASMN1; SMN2ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3102203-A2 ANTIBACTERIAL COMBINATIONS COMPRISING POLYMYXIN SPERO GYRASE, INC. (US) 2016-12-14 — — EP disclosed
WO-2015114452-A2 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD (GB) 2015-08-06 — — WO disclosed
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