SCHEMBL31335940

SCHEMBL31335940

COCOc1cc(F)c(C(C)(C)C)cc1Br

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
EGFR P00533 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
HTR2A P28223 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL24925873 0.81 HTR2A (0.36) KDM4EALDH1A1HTR2AMAPT
SCHEMBL31336065 0.79 PTGDR2 (0.37) KDM4EALDH1A1EGFRPTGDR2MAPT
SCHEMBL31335662 0.79 PTGDR2 (0.37) KDM4EALDH1A1EGFRPTGDR2MAPT
SCHEMBL26932098 0.78 HTR2A (0.42) KDM4EALDH1A1HTR2AMAPT
SCHEMBL31167218 0.78 ALDH1A1 (0.34) KDM4EALDH1A1EGFRHTR2AMAPT
SCHEMBL31335851 0.77 ALDH1A1 (0.35) KDM4EALDH1A1EGFRMAPT
SCHEMBL5324019 0.77 PTGDR2 (0.57) ALDH1A1PTGDR2
SCHEMBL8715503 0.77 HTR2C (0.36) KDM4EALDH1A1EGFRHTR2AMAPT
SCHEMBL15980355 0.76 HTR2A (0.39) KDM4EALDH1A1EGFRHTR2AMAPT
SCHEMBL321526 0.74 AAK1 (0.40) KDM4EALDH1A1HTR2AMAPT

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-4720038-A1 (HETERO)ARYL-CARBONYL-HETEROBICYCLIC COMPOUNDS AS INHIBITORS OF PMS2 FOR CANCER AND DEGENERATIVE ILLNESSES Neophore Limited (GB) 2026-04-08 EP disclosed
WO-2024246496-A1 (HETERO)ARYL-CARBONYL-HETEROBICYCLIC COMPOUNDS AS INHIBITORS OF PMS2 FOR CANCER AND DEGENERATIVE ILLNESSES Neophore Limited (GB) 2024-12-05 WO disclosed