SCHEMBL31463685

SCHEMBL31463685

O=C1c2ccccc2C(=O)N1OC(=O)C12CC(F)(C1)C2

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 1/20 0.39
GAA P10253 1/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
MAPT P10636 3/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
VDR P11473 1/20 0.33

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
SCHEMBL31463696 1.00 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP2C9GAAKMT2A
SCHEMBL31418612 0.84 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP2C9GAAKMT2A
SCHEMBL25544541 0.84 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP2C9GAAKMT2A
SCHEMBL27309139 0.84 ALDH1A1 (0.36) ALDH1A1CYP1A2CYP2C9GAAKMT2A
SCHEMBL30841259 0.84 ALDH1A1 (0.36) ALDH1A1CYP1A2CYP2C9GAAKMT2A
SCHEMBL30519448 0.83 ALDH1A1 (0.40) ALDH1A1CYP1A2CYP2C9GAAKMT2A
SCHEMBL21123753 0.83 ALDH1A1 (0.40) ALDH1A1CYP1A2CYP2C9GAAKMT2A
SCHEMBL31026713 0.81 ALDH1A1 (0.42) ALDH1A1CYP1A2CYP2C9GAAKMT2A
SCHEMBL30809222 0.81 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP2C9GAAKMT2A
SCHEMBL31635550 0.81 GAA (0.37) ALDH1A1CYP1A2CYP2C9GAAKMT2A

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-2025024707-A1 INHIBITORS OF CDK2/4/6 KINASE KINNATE BIOPHARMA INC. (US) 2025-01-30 WO disclosed