SCHEMBL26062348

SCHEMBL26062348

Oc1cc(C(F)(F)F)ccc1S

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KIF11 P52732 4/20 0.43
KDM4E B2RXH2 2/20 0.42
NQO2 P16083 1/20 0.42
PDE2A O00408 1/20 0.41
CES2 O00748 3/20 0.41
ALDH1A1 P00352 3/20 0.40
TSHR P16473 1/20 0.40
PTGS1 P23219 1/20 0.39
PTPN5 P54829 1/20 0.39
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
GPR3 P46089 1/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
CES1 P23141 1/20 0.38
ORAI1 Q96D31 1/20 0.38
ORAI2 Q96SN7 1/20 0.38
ORAI3 Q9BRQ5 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
SCHEMBL7947568 0.81 MEN1 (0.50) MEN1KMT2AKIF11KDM4ENQO2
SCHEMBL187014 0.80 NQO2 (0.61) MEN1KMT2AKIF11KDM4ENQO2
SCHEMBL6519018 0.79 TSHR (0.43) ALDH1A1TSHRHPGDHSD17B10ALOX15
SCHEMBL6520621 0.77 TSHR (0.41) ALDH1A1TSHRHPGDHSD17B10ALOX15
SCHEMBL6516444 0.77 TSHR (0.41) ALDH1A1TSHRHPGDHSD17B10ALOX15
SCHEMBL6520615 0.77 TSHR (0.41) ALDH1A1TSHRHPGDHSD17B10ALOX15
SCHEMBL2001354 0.76 CES2 (0.55) MEN1KMT2AKIF11KDM4ENQO2
SCHEMBL104056 0.76 CA3 (0.52) MEN1KMT2AKIF11KDM4ENQO2
SCHEMBL226137 0.74 ALDH1A1 (0.50) MEN1KMT2AKIF11KDM4ENQO2
SCHEMBL8985702 0.74 HSD17B2 (0.49) MEN1KMT2AKIF11KDM4ENQO2

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-2023159148-A2 INHIBITORS OF NLRP3 PTC THERAPEUTICS, INC. (US) 2023-08-24 WO disclosed