SCHEMBL31311230

SCHEMBL31311230

COc1cccc(CNc2cnc(S(=O)(=O)Nc3nc(-c4ccc(Cl)c(F)c4)c(Br)s3)c(C)c2)c1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
ALOX12 P18054 12/20 0.38
ALOX15 P16050 5/20 0.38
TASP1 Q9H6P5 1/20 0.35
SCN9A Q15858 3/20 0.35
PI4KB Q9UBF8 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 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
SCHEMBL31311313 0.95 MAPT (0.42) MAPTALOX12ALOX15TASP1SCN9A
SCHEMBL31311286 0.94 ALOX12 (0.39) MAPTALOX12ALOX15TASP1SCN9A
SCHEMBL31311240 0.89 ALOX12 (0.49) MAPTALOX12ALOX15KDM4EMEN1
SCHEMBL31311260 0.85 PTGS1 (0.39) MAPTALOX12ALOX15SCN9API4KB
SCHEMBL31311307 0.85 MAPT (0.38) MAPTALOX12ALOX15TASP1SCN9A
SCHEMBL31311191 0.84 ALOX15 (0.51) MAPTALOX12ALOX15KDM4EMEN1
SCHEMBL31311159 0.84 PTGS1 (0.38) MAPTALOX12ALOX15SCN9API4KB
SCHEMBL31311209 0.84 MAPT (0.38) MAPTALOX12ALOX15TASP1SCN9A
SCHEMBL31311305 0.84 PTGS1 (0.37) MAPTALOX12ALOX15SCN9API4KB
SCHEMBL31311292 0.82 ALOX12 (0.51) MAPTALOX12ALOX15KDM4EMEN1

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