SCHEMBL9278447

SCHEMBL9278447

Cc1nc(-c2ccc(O)c(C=O)c2)sc1C(=O)N(C)C

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 11/20 0.55
HTR2C P28335 1/20 0.47
CDC7 O00311 1/20 0.45
DBF4 Q9UBU7 1/20 0.45
RAB9A P51151 4/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.41
PPARD Q03181 1/20 0.40
PPARA Q07869 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
SCHEMBL2009745 0.86 RAB9A (0.59) ERN1RAB9AKDM4EGAASMN1; SMN2
SCHEMBL454793 0.81 CDC7 (0.59) CDC7DBF4KDM4EKMT2AMEN1
SCHEMBL29627451 0.81 CDC7 (0.59) CDC7DBF4KDM4EKMT2AMEN1
SCHEMBL9275546 0.80 XDH (0.53) HTR2CCDC7DBF4RAB9AKDM4E
SCHEMBL9281637 0.80 XDH (0.56) HTR2CRAB9AKDM4EGAASMN1; SMN2
SCHEMBL9278519 0.79 CDC7 (0.57) HTR2CCDC7DBF4RAB9AKDM4E
SCHEMBL12454256 0.78 ERN1 (0.42) ERN1RAB9AKDM4EGAASMN1; SMN2
SCHEMBL15130562 0.76 ERN1 (0.47) ERN1
SCHEMBL12767074 0.72 ERN1 (1.00) ERN1
SCHEMBL12725676 0.71 HTR2C (0.52) HTR2CCDC7DBF4RAB9AKDM4E

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
WO-2012073259-A1 NOVEL PROCESS FOR THE PREPARATION OF FEBUXOSTAT INDOCO REMEDIES LIMITED (IN) 2012-06-07 WO disclosed