SCHEMBL31646292

SCHEMBL31646292

CNc1cccc(C(F)(F)F)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.46
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ULK1 O75385 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
EGFR P00533 1/20 0.39
TAS2R14 Q9NYV8 1/20 0.38
LCK P06239 1/20 0.38
KDR P35968 1/20 0.38

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
SCHEMBL3872255 1.00 EPHX2 (0.46) EPHX2ALDH1A1POLBTDP1L3MBTL1
SCHEMBL25004728 0.86 MAPT (0.38) EPHX2ALDH1A1POLBTDP1L3MBTL1
SCHEMBL19532816 0.83 CA2 (0.41) EPHX2ALDH1A1POLBTDP1L3MBTL1
SCHEMBL31757635 0.81 APP (0.39) EPHX2ALDH1A1POLBTDP1L3MBTL1
SCHEMBL880789 0.80 ALDH1A1 (0.59) ALDH1A1POLBTDP1L3MBTL1CYP1A2
SCHEMBL20620245 0.80 EPHX2 (0.43) EPHX2ALDH1A1POLBTDP1L3MBTL1
SCHEMBL23591206 0.80 SOS1 (0.36) EPHX2POLBULK1CA12CA1
SCHEMBL5514195 0.79 MAPT (0.44) ALDH1A1POLBTDP1L3MBTL1EGFR
SCHEMBL9229491 0.79 TAS2R14 (0.53) ALDH1A1POLBTDP1L3MBTL1CYP1A2
SCHEMBL11404399 0.79 EPHX2 (0.48) EPHX2ALDH1A1POLBTDP1L3MBTL1

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-2025133915-A1 COMPOUNDS WHICH BIND TO PNPLA3I148M AND THEIR USE TO TREAT LIVER DISEASES NOVARTIS AG (CH) 2025-06-26 WO disclosed