SCHEMBL14824329

SCHEMBL14824329

CCNC(=O)Nc1nc2cc(C)c(C)cc2s1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.64
RAB9A P51151 4/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
ABL1 P00519 11/20 0.62
PIK3CA P42336 1/20 0.53
PIK3CG P48736 1/20 0.53
PIK3CD O00329 1/20 0.52
ACP1 P24666 1/20 0.49
LCK P06239 1/20 0.48

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
SCHEMBL3664440 0.91 NPC1 (0.60) NPC1RAB9ASMN1; SMN2ABL1PIK3CA
SCHEMBL4496509 0.90 NPC1 (0.69) NPC1RAB9ASMN1; SMN2ABL1PIK3CA
SCHEMBL13798160 0.89 NPC1 (0.59) NPC1RAB9ASMN1; SMN2ABL1PIK3CA
SCHEMBL2792336 0.86 ABL1 (0.50) NPC1RAB9ASMN1; SMN2ABL1ACP1
SCHEMBL2815755 0.84 MMP3 (0.52) NPC1RAB9ASMN1; SMN2ABL1
Potassium Ion SCHEMBL2791883 0.84 ABL1 (0.48) NPC1RAB9ASMN1; SMN2ABL1PIK3CA
SCHEMBL13798182 0.83 NPC1 (0.69) NPC1RAB9ASMN1; SMN2ABL1PIK3CA
SCHEMBL14189671 0.83 ABL1 (0.70) NPC1RAB9ASMN1; SMN2ABL1PIK3CA
SCHEMBL15259988 0.81 NPC1 (0.59) NPC1RAB9ASMN1; SMN2ABL1PIK3CA
SCHEMBL3664536 0.81 NPC1 (0.69) NPC1RAB9ASMN1; SMN2ABL1PIK3CA

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-2231653-B1 ANTIBACTERIAL CONDENSED THIAZOLES BIOTA EUROPE LTD (GB) 2013-04-03 EP disclosed