SCHEMBL31311225

SCHEMBL31311225

COc1cccc(CNc2cnc(S(=O)(=O)Nc3nc(-c4ccc(F)c(Cl)c4)c(C4CC4)s3)c(C)c2)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ALOX12 P18054 18/20 0.48
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 2/20 0.42
MAPK1 P28482 1/20 0.42
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
NFKB1 P19838 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40

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
SCHEMBL31311360 0.94 ALOX12 (0.49) ALOX15KDM4EMAPTMEN1CYP3A4
SCHEMBL31311270 0.91 ALOX12 (0.48) ALOX15KDM4EMAPTMEN1CYP3A4
SCHEMBL31311362 0.91 ALOX15 (0.50) ALOX15KDM4EMAPTMEN1CYP3A4
SCHEMBL31311387 0.90 ALOX12 (0.55) ALOX15KDM4EMAPTMEN1CYP3A4
SCHEMBL31311263 0.90 ALOX15 (0.52) ALOX15KDM4EMAPTMEN1CYP3A4
SCHEMBL31311265 0.89 ALOX15 (0.47) ALOX15KDM4EMAPTMEN1CYP3A4
SCHEMBL31311191 0.89 ALOX15 (0.51) ALOX15KDM4EMAPTMEN1CYP3A4
SCHEMBL31311166 0.88 ALOX15 (0.49) ALOX15KDM4EMAPTMEN1CYP3A4
SCHEMBL31311350 0.88 ALOX12 (0.52) ALOX15KDM4EMAPTMEN1CYP3A4
SCHEMBL31311229 0.88 ALOX12 (0.48) ALOX15KDM4EMAPTMEN1CYP3A4

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
EP-4731206-A2 COMPOSITIONS AND METHODS OF USE TO TREAT 12-LIPOXYGENASE (12-LOX) MEDIATED DISEASES Veralox Therapeutics Inc. (US) 2026-04-29 EP disclosed
WO-2024264032-A2 COMPOSITIONS AND METHODS OF USE TO TREAT 12-LIPOXYGENASE (12-LOX) MEDIATED DISEASES VERALOX THERAPEUTICS INC. (US) 2024-12-26 WO disclosed