SCHEMBL31632863

SCHEMBL31632863

Cn1cc(-c2cccc(F)c2)c2ccc(C=O)cc21

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
GSK3B P49841 2/20 0.44
PRKCA P17252 1/20 0.44
BRD4 O60885 8/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SCN9A Q15858 6/20 0.41
ASH1L Q9NR48 1/20 0.40
CYP2A6 P11509 1/20 0.39

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
SCHEMBL15958962 0.85 IDO1 (0.53) IDO1TDO2GSK3BPRKCAKDM4E
SCHEMBL22159339 0.85 SCN9A (0.51) IDO1TDO2GSK3BBRD4KDM4E
SCHEMBL31632773 0.78 SCN9A (0.44) IDO1TDO2BRD4KDM4EALDH1A1
SCHEMBL31633178 0.78 SCN9A (0.54) IDO1TDO2GSK3BPRKCABRD4
SCHEMBL120345 0.78 SCN9A (0.54) IDO1TDO2GSK3BPRKCABRD4
SCHEMBL31632917 0.75 PTGER1 (0.39) KDM4EALDH1A1SCN9ACYP2A6
SCHEMBL31633145 0.75 SCN9A (0.53) IDO1TDO2GSK3BPRKCABRD4
SCHEMBL694131 0.73 ASH1L (0.41) IDO1TDO2GSK3BPRKCABRD4
SCHEMBL13038411 0.73 PDE3B (0.45) BRD4ALDH1A1
SCHEMBL19831270 0.70 CYP2A6 (0.50) KDM4EALDH1A1CYP2A6

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-2025129167-A1 INHIBITORS OF THE SURFACE EXPRESSION OF THE VOLTAGE-GATED SODIUM ION CHANNEL 1.7 (NAV1.7) AND THEIR THERAPEUTIC USES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2025-06-19 WO disclosed