SCHEMBL2576273

SCHEMBL2576273

COCCCNC(=O)c1noc2ccncc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
TRPV1 Q8NER1 1/20 0.47
GAA P10253 2/20 0.45
TP53 P04637 2/20 0.44
HDAC4 P56524 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HIF1A Q16665 1/20 0.42
HPGDS O60760 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
APAF1 O14727 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
RECQL P46063 1/20 0.40
KEAP1 Q14145 1/20 0.40

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
SCHEMBL2585927 0.82 WNT1 (0.46) ALDH1A1HDAC4HDAC6HIF1AKDM4E
SCHEMBL2589522 0.82 EPHX2 (0.56) ALDH1A1TSHRL3MBTL1HIF1ANPC1
SCHEMBL2582356 0.80 KMT2A (0.46) ALDH1A1GAAHDAC4HIF1ANPC1
SCHEMBL2585707 0.79 RAB9A (0.54) ALDH1A1TRPV1GAAL3MBTL1HIF1A
SCHEMBL2586722 0.77 WNT1 (0.49) ALDH1A1HDAC4HDAC6TSHRNPC1
SCHEMBL2305838 0.76 HIF1A (0.57) ALDH1A1HIF1ARAB9AKDM4EHPGD
SCHEMBL2578691 0.76 WNT1 (0.53) ALDH1A1TSHRNPC1RAB9AKMT2A
SCHEMBL2585532 0.76 HIF1A (0.52) ALDH1A1GAATP53TSHRHIF1A
SCHEMBL2589092 0.76 HIF1A (0.43) HDAC4HDAC6HIF1A
SCHEMBL2582407 0.75 P2RX7 (0.54) TP53HIF1A

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