SCHEMBL11612285

SCHEMBL11612285

CSc1ccc(NC(=O)NCc2ccncc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.74
▸ MAPT P10636 1/20 0.74
▸ RAB9A P51151 1/20 0.74
▸ KMT2A Q03164 2/20 0.72
▸ MEN1 O00255 1/20 0.72
▸ NAMPT P43490 16/20 0.68
▸ HTT P42858 1/20 0.67
▸ GAA P10253 1/20 0.61
▸ ROCK2 O75116 1/20 0.60
▸ ROCK1 Q13464 1/20 0.60

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
SCHEMBL15573292 0.89 NPC1 (0.63) NPC1MAPTRAB9AKMT2AMEN1
SCHEMBL20389232 0.86 NAMPT (0.68) NAMPTHTTROCK2ROCK1
SCHEMBL20389090 0.85 NAMPT (0.62) NPC1MAPTRAB9AKMT2AMEN1
SCHEMBL27942157 0.85 NPC1 (1.00) NPC1MAPTRAB9AKMT2AMEN1
SCHEMBL11848242 0.84 KMT2A (1.00) NPC1MAPTRAB9AKMT2AMEN1
SCHEMBL8212768 0.84 NAMPT (0.84) NPC1RAB9AKMT2AMEN1NAMPT
SCHEMBL11748446 0.84 NAMPT (0.73) KMT2ANAMPTHTTGAAROCK2
SCHEMBL11621060 0.83 HTT (0.76) NPC1MAPTRAB9ANAMPTHTT
SCHEMBL11647526 0.83 ALDH1A1 (0.68) NPC1MAPTRAB9AKMT2ANAMPT
SCHEMBL20388975 0.83 NAMPT (0.70) NPC1RAB9AKMT2AMEN1NAMPT

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
US-4088766-A PRODUCTION OF PROSTAGLANDINS IN MAMMALS THE UPJOHN COMPANY (US) 1978-05-09 — — US disclosed
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