SCHEMBL31318312

SCHEMBL31318312

COc1cc(C=Nc2ccc([Se][Se]c3ccc(N=Cc4ccc(O)c(OC)c4)cc3)cc2)ccc1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.66
PTGS1 P23219 3/20 0.66
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
NFKB1 P19838 1/20 0.51
RAB9A P51151 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
TRPA1 O75762 1/20 0.50
AMY1A P0DUB6 1/20 0.50
TRIM24 O15164 1/20 0.50
ALDH5A1 P51649 1/20 0.50
ABAT P80404 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL8319294 0.85 PTGS2 (0.69) PTGS2PTGS1MEN1KMT2ALMNA
SCHEMBL8319299 0.85 PTGS2 (0.69) PTGS2PTGS1MEN1KMT2ALMNA
SCHEMBL28507952 0.85 PTGS2 (0.69) PTGS2PTGS1MEN1KMT2ALMNA
SCHEMBL10486517 0.82 PTGS2 (0.64) PTGS2PTGS1MEN1KMT2ALMNA
SCHEMBL10486520 0.82 PTGS2 (0.64) PTGS2PTGS1MEN1KMT2ALMNA
SCHEMBL16885013 0.81 PTGS2 (0.64) PTGS2PTGS1MEN1KMT2ALMNA
SCHEMBL17810919 0.81 KDM4E (0.67) PTGS2PTGS1MAPTSMN1; SMN2NPC1
SCHEMBL17826058 0.81 KDM4E (0.67) PTGS2PTGS1MAPTSMN1; SMN2NPC1
SCHEMBL17810917 0.81 KDM4E (0.67) PTGS2PTGS1MAPTSMN1; SMN2NPC1
SCHEMBL5478138 0.80 PTGS2 (0.62) PTGS2PTGS1MEN1KMT2ALMNA

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
US-12179181-B1 Activated supported Bi2O3/TiO2 catalysts IMAM MOHAMMAD IBN SAUD ISLAMIC UNIVERSITY (SA) 2024-12-31 US claimed
US-12179181-B1 Activated supported Bi2O3/TiO2 catalysts IMAM MOHAMMAD IBN SAUD ISLAMIC UNIVERSITY (SA) 2024-12-31 US disclosed