SCHEMBL16975269

SCHEMBL16975269

CCNC(=O)Nc1nc2cc(-c3cnc(NS(=O)(=O)N4CCCC4)nc3)cc(-c3ccc(C)cn3)c2s1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PIK3C3 Q8NEB9 3/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ABL1 P00519 2/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL16975224 0.93 MAPT (0.39) ABL1
SCHEMBL16975354 0.90 ABL1 (0.34) NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL16975235 0.90 ABL1 (0.34) NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL16975244 0.90 ABL1 (0.34) NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL16975312 0.89 ABL1 (0.37) ABL1
SCHEMBL16975277 0.88 NPC1 (0.41) NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL16975230 0.88 NPC1 (0.41) NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL16975263 0.88 LMNA (0.34) SMN1; SMN2ABL1
SCHEMBL16975195 0.87 PIK3CD (0.35) SMN1; SMN2
SCHEMBL16975206 0.87 PIK3CD (0.35) SMN1; 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 4 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 claimed
WO-2015114452-A2 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD (GB) 2015-08-06 — — WO claimed
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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