SCHEMBL31355652

SCHEMBL31355652

Nc1c(C(=O)Cl)cc(C(F)(F)F)c(Br)c1F

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 1/20 0.35
CFTR P13569 2/20 0.33
SOS1 Q07889 1/20 0.33
CES2 O00748 2/20 0.31
ACP1 P24666 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
TAS2R14 Q9NYV8 1/20 0.30

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
SCHEMBL24616007 0.85 KDM4E (0.40) TMPRSS4CFTRALDH1A1TAS2R14
SCHEMBL29810864 0.80 CFTR (0.50) CFTRSOS1ALDH1A1ALOX15GAA
SCHEMBL24917967 0.80 CFTR (0.50) CFTRSOS1ALDH1A1ALOX15GAA
SCHEMBL11623934 0.77 EPRS1 (0.35) TMPRSS4CFTRCES2LMNAGAA
SCHEMBL16647249 0.75 KDM4E (0.40) TMPRSS4CFTRALDH1A1TAS2R14
SCHEMBL22164127 0.72 CES2 (0.47) TMPRSS4CFTRCES2ALDH1A1ALOX15
SCHEMBL11626984 0.71 CYP3A4 (0.38) TMPRSS4CFTRCES2ALDH1A1GAA
SCHEMBL16529867 0.68 KDM4E (0.44) ALDH1A1GAA
SCHEMBL11632983 0.68 GSK3B (0.42) TMPRSS4CFTRLMNATAS2R14
SCHEMBL29244555 0.68 TMPRSS4 (0.35) TMPRSS4CES2ACP1LMNA

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
WO-2025051242-A1 RAS INHIBITOR 泰励生物科技(上海)有限公司 2025-03-13 WO disclosed
CN-119591588-A RAS inhibitors 泰励生物科技(上海)有限公司 2025-03-11 CN disclosed