SCHEMBL2578696

SCHEMBL2578696

COc1ccc(NC(=O)c2noc3c2CN(C(N)=O)CC3)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.66
RAB9A P51151 9/20 0.66
MAPT P10636 9/20 0.66
NPC1 O15118 8/20 0.66
RECQL P46063 5/20 0.66
ALDH1A1 P00352 5/20 0.66
POLB P06746 4/20 0.66
TDP1 Q9NUW8 4/20 0.66
NR4A1 P22736 2/20 0.66
GAA P10253 1/20 0.65
HSD17B10 Q99714 3/20 0.48
KDM4E B2RXH2 3/20 0.48
TP53 P04637 2/20 0.48
NFKB1 P19838 2/20 0.48
NFKB2 Q00653 2/20 0.48
RELA Q04206 2/20 0.48
HIF1A Q16665 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TSHR P16473 1/20 0.47
ATM Q13315 1/20 0.47

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
SCHEMBL13856652 0.80 RAB9A (1.00) SMN1; SMN2RAB9AMAPTNPC1RECQL
SCHEMBL4263699 0.78 MAPT (0.60) SMN1; SMN2RAB9AMAPTNPC1RECQL
SCHEMBL2581162 0.78 RAB9A (0.58) SMN1; SMN2RAB9AMAPTNPC1RECQL
SCHEMBL23657497 0.76 MAPT (0.78) SMN1; SMN2RAB9AMAPTNPC1RECQL
SCHEMBL4259746 0.74 LMNA (0.50) SMN1; SMN2RAB9AMAPTNPC1RECQL
SCHEMBL2580961 0.73 ALDH1A1 (0.65) SMN1; SMN2RAB9AMAPTNPC1ALDH1A1
SCHEMBL4272825 0.72 SMN1; SMN2 (0.53) SMN1; SMN2RAB9AMAPTNPC1RECQL
SCHEMBL4268590 0.71 MAPT (0.58) SMN1; SMN2RAB9AMAPTNPC1RECQL
SCHEMBL2578771 0.70 HSP90AA1 (0.49) SMN1; SMN2RAB9AMAPTNPC1RECQL
SCHEMBL2583163 0.70 HSP90AA1 (0.49) SMN1; SMN2RAB9ANPC1ALDH1A1HSD17B10

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 2 patents. 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 claimed
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