SCHEMBL2581794

SCHEMBL2581794

Cc1ccc(NC(=O)c2noc3ccncc23)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 8/20 0.60
RAB9A P51151 7/20 0.50
SMN1; SMN2 Q16637 6/20 0.50
NPC1 O15118 6/20 0.50
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 3/20 0.49
TP53 P04637 2/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 1/20 0.49
NAMPT P43490 1/20 0.48
USP2 O75604 1/20 0.48
POLB P06746 1/20 0.48
GLA P06280 1/20 0.48
HTT P42858 1/20 0.48
HPGD P15428 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
SCHEMBL2586922 0.86 HIF1A (0.72) HIF1ARAB9ANPC1ALDH1A1NPSR1
SCHEMBL2582356 0.74 KMT2A (0.46) HIF1ARAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL2576273 0.72 ALDH1A1 (0.48) HIF1ARAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL2585927 0.72 WNT1 (0.46) HIF1ASMN1; SMN2KDM4EALDH1A1HSD17B10
SCHEMBL2590019 0.71 HIF1A (0.68) HIF1ARAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL2585532 0.70 HIF1A (0.52) HIF1ARAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL2589092 0.70 HIF1A (0.43) HIF1ANAMPT
SCHEMBL28970683 0.70 HIF1A (1.00) HIF1A
SCHEMBL1970224 0.69 GAA (0.81) RAB9ASMN1; SMN2NPC1KDM4EALDH1A1
SCHEMBL2585707 0.68 RAB9A (0.54) HIF1ARAB9ASMN1; SMN2NPC1ALDH1A1

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