SCHEMBL31364792

SCHEMBL31364792

COC(=O)c1cncc(OCC2CC(F)(F)C2)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
GRM5 P41594 1/20 0.43
HIF1A Q16665 1/20 0.42
GPR88 Q9GZN0 1/20 0.40
CACNA1H O95180 3/20 0.39
P2RX3 P56373 2/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
SIRT3 Q9NTG7 1/20 0.39
CASP3 P42574 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
ACACB O00763 2/20 0.37
TRPC6 Q9Y210 1/20 0.37
CYP2A6 P11509 1/20 0.36

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
SCHEMBL23501656 1.00 ATM (0.44) ATMGRM5HIF1AGPR88CACNA1H
SCHEMBL29933848 0.86 MEN1 (0.43) GPR88CACNA1H
SCHEMBL23501672 0.86 MEN1 (0.43) GPR88CACNA1H
SCHEMBL28274110 0.85 ATM (0.50) ATMGRM5HIF1AP2RX3SIRT2
SCHEMBL2195576 0.82 PARP10 (0.47) ATMGRM5HIF1ASIRT2SIRT1
SCHEMBL31364788 0.81 ATM (0.48) ATMGRM5HIF1ACACNA1HP2RX3
SCHEMBL23501611 0.81 ATM (0.48) ATMGRM5HIF1ACACNA1HP2RX3
SCHEMBL23167202 0.77 ATM (0.56) ATMGRM5HIF1AP2RX3SIRT2
SCHEMBL16319115 0.74 ATM (0.53) ATMGRM5P2RX3SIRT2SIRT1
SCHEMBL31287098 0.74 ATM (0.53) ATMGRM5SIRT2SIRT1SIRT3

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
CN-115315421-B Compounds and compositions as PDGF receptor kinase inhibitors 日本新药株式会社 2024-12-03 CN disclosed