SCHEMBL31738331

SCHEMBL31738331

CN=S(C)(=O)c1cc(N)cc(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.45
CYP19A1 P11511 1/20 0.40
NQO2 P16083 1/20 0.40
ALDH1A1 P00352 3/20 0.37
CYP3A4 P08684 1/20 0.37
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36
PTGS2 P35354 2/20 0.35
PKM P14618 4/20 0.35
F2 P00734 2/20 0.34
PRSS1 P07477 2/20 0.34
PRSS2 P07478 2/20 0.34
PRSS3 P35030 2/20 0.34
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL2437487 0.81 HTR6 (0.50) HTR6CYP19A1NQO2ALDH1A1CYP3A4
SCHEMBL15054527 0.77 HTR6 (0.50) HTR6ALDH1A1CYP3A4PTGS2TDP1
SCHEMBL31738317 0.76 PTGS1 (0.47) CYP19A1ALDH1A1PTGS2F2PRSS1
SCHEMBL1606727 0.76 HTR6 (0.49) HTR6CYP19A1NQO2ALDH1A1CYP3A4
SCHEMBL12325146 0.74 HTR6 (0.47) HTR6CYP19A1NQO2ALDH1A1CYP3A4
SCHEMBL30365875 0.73 ALDH1A1 (0.65) HTR6CYP19A1NQO2ALDH1A1CYP3A4
SCHEMBL25315138 0.73 PKM (0.59) ALDH1A1PTGS2PKMF2PRSS1
SCHEMBL16829089 0.73 MAPT (0.47) HTR6CYP19A1NQO2ALDH1A1CYP3A4
SCHEMBL15720899 0.72 HTR6 (0.45) HTR6CYP19A1NQO2ALDH1A1CYP3A4
SCHEMBL15720849 0.71 HTR6 (0.45) HTR6CYP19A1NQO2ALDH1A1CYP3A4

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-2025242903-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF PROLIFERATIVE DISEASES ONCO3R THERAPEUTICS BV (BE) 2025-11-27 WO disclosed