SCHEMBL2586922

SCHEMBL2586922

O=C(Nc1ccccc1)c1noc2ccncc12

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 16/20 0.72
HTT P42858 1/20 0.49
ROCK1 Q13464 1/20 0.48
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NAMPT P43490 1/20 0.46

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
SCHEMBL2581794 0.86 HIF1A (0.60) HIF1AHTTNPC1ALDH1A1RAB9A
SCHEMBL28970683 0.84 HIF1A (1.00) HIF1AROCK1
SCHEMBL2585532 0.80 HIF1A (0.52) HIF1AROCK1NPC1ALDH1A1LMNA
SCHEMBL2585707 0.78 RAB9A (0.54) HIF1ANPC1ALDH1A1RAB9A
SCHEMBL2589522 0.76 EPHX2 (0.56) HIF1AHTTNPC1ALDH1A1RAB9A
SCHEMBL2585139 0.74 LMNA (0.58) HTTALDH1A1LMNA
SCHEMBL2582356 0.73 KMT2A (0.46) HIF1AHTTNPC1ALDH1A1LMNA
SCHEMBL2590019 0.73 HIF1A (0.68) HIF1ANPC1ALDH1A1LMNARAB9A
SCHEMBL2589092 0.72 HIF1A (0.43) HIF1ANAMPT
SCHEMBL2576273 0.71 ALDH1A1 (0.48) HIF1ANPC1ALDH1A1RAB9ANPSR1

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-8048879-B2 Substituted 4,5,6,7-tetrahydro-isoxazolo[4,5-c]pyridine compounds and use thereof for producing medicaments GRUENENTHAL GMBH (DE) 2011-11-01 US disclosed