SCHEMBL2585532

SCHEMBL2585532

O=C(NCc1ccccc1)c1noc2ccncc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.52
KMT2A Q03164 3/20 0.51
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
RAB9A P51151 2/20 0.50
HPGD P15428 2/20 0.50
NPC1 O15118 1/20 0.50
GAA P10253 3/20 0.49
ROCK2 O75116 1/20 0.48
RPS6KA5 O75582 1/20 0.48
MAP4K4 O95819 1/20 0.48
PRKCG P05129 1/20 0.48
PRKACA P17612 1/20 0.48
RPS6KB1 P23443 1/20 0.48
MAPK1 P28482 1/20 0.48
AKT1 P31749 1/20 0.48
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
PRKX P51817 1/20 0.48
PRKCD Q05655 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
SCHEMBL2585707 0.88 RAB9A (0.54) HIF1AKMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL2589522 0.85 EPHX2 (0.56) HIF1AKMT2ASMN1; SMN2RAB9AHPGD
SCHEMBL2581683 0.81 ECE1 (0.48) HIF1AKMT2ASMN1; SMN2RAB9AROCK2
SCHEMBL2586922 0.80 HIF1A (0.72) HIF1ALMNARAB9ANPC1ROCK1
SCHEMBL2584587 0.79 ROCK2 (0.48) HIF1AKMT2ASMN1; SMN2GAAROCK2
SCHEMBL2582356 0.78 KMT2A (0.46) HIF1AKMT2ALMNASMN1; SMN2RAB9A
SCHEMBL2585139 0.78 LMNA (0.58) KMT2ALMNASMN1; SMN2HPGDGAA
SCHEMBL2589092 0.77 HIF1A (0.43) HIF1AROCK2GSK3BDYRK1A
SCHEMBL2582407 0.76 P2RX7 (0.54) HIF1AROCK2CYP1A2CYP2C19TP53
SCHEMBL2587088 0.76 GSK3B (0.46) HIF1AKMT2AROCK2GSK3B

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