SCHEMBL9659243

SCHEMBL9659243

Cc1cncc(OC(=O)O)n1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.38
IGF1R P08069 4/20 0.37
ATM Q13315 1/20 0.35
GRM5 P41594 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 2/20 0.32
SRC P12931 1/20 0.32
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL9329411 0.87 HCAR2 (0.37) HCAR2ATMCYP2C9CYP2C19KDM4E
SCHEMBL186349 0.76 CDK2 (0.39) HCAR2KDM4EALDH1A1
SCHEMBL2924939 0.76 CDK2 (0.39) HCAR2GRM5CYP2C9CYP2C19KDM4E
SCHEMBL186538 0.76 HCAR3 (0.36) HCAR2ATMGRM5KDM4EALDH1A1
SCHEMBL4265537 0.74 HCAR2 (0.39) HCAR2ATMKDM4EALDH1A1HSD17B10
SCHEMBL9413739 0.72 LCK (0.40) CYP2C9CYP2C19KDM4EALDH1A1
SCHEMBL3647432 0.72 RAB9A (0.44) GRM5CYP2C9CYP2C19KDM4EALDH1A1
SCHEMBL231933 0.72
SCHEMBL23292685 0.71 IGF1R (0.50) HCAR2IGF1RCYP2C19SRCALDH1A1
SCHEMBL30424650 0.71 IGF1R (0.50) HCAR2IGF1RCYP2C19SRCALDH1A1

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
EP-0466042-A2 Microbiological process for the oxidation of methyl groups LONZA AG (CH) 1992-01-15 EP claimed
EP-0466042-A2 Microbiological process for the oxidation of methyl groups LONZA AG (CH) 1992-01-15 EP disclosed