SCHEMBL19133345

SCHEMBL19133345

C#Cc1ncc(-c2cc(-c3ccccn3)c3sc(NC(=O)NCC)nc3c2)cn1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ ABL1 P00519 9/20 0.45

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
SCHEMBL19159716 0.90 NPC1 (0.50) NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL1292452 0.89 NPC1 (0.49) NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL1281995 0.89 NPC1 (0.49) NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL2739819 0.89 NPC1 (0.49) NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL15260119 0.88 NPC1 (0.48) NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL16975435 0.88 NPC1 (0.48) NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL2739706 0.88 NPC1 (0.50) NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL2739672 0.88 NPC1 (0.56) NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL16975437 0.88 NPC1 (0.47) NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL1282410 0.88 NPC1 (0.47) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2828257-B1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD (GB) 2017-07-26 — — EP claimed
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