SCHEMBL24196350

SCHEMBL24196350

Nc1ccc(N2CCNC2=O)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
POLB P06746 2/20 0.39
ALOX5 P09917 1/20 0.38
SCN9A Q15858 1/20 0.37
TDO2 P48775 1/20 0.37
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
F10 P00742 1/20 0.37
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
BPTF Q12830 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 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
SCHEMBL8257893 0.82 ALDH1A1 (0.42) ALDH1A1POLBALOX5SCN9ATDO2
SCHEMBL31662970 0.82 RAD51 (0.44) ALDH1A1POLBALOX5TDO2CMA1
SCHEMBL18640602 0.82 ALDH1A1 (0.38) ALDH1A1POLBALOX5SCN9ATDO2
SCHEMBL16965435 0.82 TDO2 (0.39) ALDH1A1POLBALOX5SCN9ATDO2
SCHEMBL15596119 0.79 DRD2 (0.48) ALDH1A1POLBMAPTCYP1A2CYP2D6
SCHEMBL38658736 0.78 THRB (0.40) ALDH1A1POLBALOX5SCN9ATDO2
SCHEMBL305860 0.78 ALDH1A1 (0.55) ALDH1A1POLBALOX5SCN9AMAPT
SCHEMBL8250866 0.77 F10 (0.47) ALDH1A1SCN9ATDO2F10MAPT
SCHEMBL31129874 0.77 MEN1 (0.41) ALDH1A1POLBMAPTKDM4ECYP3A4
SCHEMBL5056229 0.76 ALOX5 (0.50) ALDH1A1POLBALOX5SCN9AMAPT

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-2022011274-A1 SUBSTITUTED 1,6-NAPHTHYRIDINE INHIBITORS OF CDK5 GOLDFINCH BIO, INC. (US) 2022-01-13 WO disclosed