SCHEMBL31423124

SCHEMBL31423124

O=c1cc(C(F)(F)F)c2ccccc2[nH]1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 16/20 0.63
CYP1A2 P05177 1/20 0.56
CYP2C19 P33261 1/20 0.56
TNKS2 Q9H2K2 1/20 0.56
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 1/20 0.55
HPGD P15428 1/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL1174115 1.00 AR (0.63) ARCYP1A2CYP2C19TNKS2KDM4E
SCHEMBL15828556 0.81 CYP1A2 (0.61) ARCYP1A2CYP2C19TNKS2KDM4E
SCHEMBL1771872 0.80 AR (0.61) ARTNKS2
SCHEMBL14969318 0.80 AR (0.49) AR
SCHEMBL1771008 0.79 AR (0.69) AR
SCHEMBL1771152 0.79 AR (0.69) AR
SCHEMBL13429043 0.78 KIF11 (0.45) ARCYP1A2CYP2C19TNKS2KDM4E
SCHEMBL30946245 0.78 KIF11 (0.51) ARKDM4EALDH1A1HPGDHTT
SCHEMBL3787127 0.78 KIF11 (0.51) ARKDM4EALDH1A1HPGDHTT
SCHEMBL31331602 0.77 AR (1.00) AR

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-2025085233-A1 NOVEL DERIVATIVES OF QUINOLINONES, AND COMPOSITIONS AND METHODS THEREOF ENSEM THERAPEUTICS, INC. (US) 2025-04-24 WO disclosed