SCHEMBL6879569

SCHEMBL6879569

COc1cc(OC)c(-c2cccs2)cc1/C=C/C(=O)c1ccc(S([NH])(=O)=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 17/20 0.62
ABCG2 Q9UNQ0 1/20 0.52
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP1A1 P04798 1/20 0.47
CYP1B1 Q16678 1/20 0.47

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
SCHEMBL4727721 0.86 TNFRSF1A (0.68) TNFRSF1AABCG2
SCHEMBL4727718 0.86 TNFRSF1A (0.68) TNFRSF1AABCG2
SCHEMBL14547399 0.84 TNFRSF1A (0.55) TNFRSF1AABCG2MEN1LMNAGAA
SCHEMBL5560859 0.84 TNFRSF1A (0.57) TNFRSF1AABCG2MEN1LMNAGAA
SCHEMBL5560854 0.84 TNFRSF1A (0.57) TNFRSF1AABCG2MEN1LMNAGAA
SCHEMBL5566991 0.84 TNFRSF1A (0.54) TNFRSF1AABCG2MEN1LMNAGAA
SCHEMBL5560066 0.84 TNFRSF1A (0.63) TNFRSF1AABCG2MEN1LMNAGAA
SCHEMBL5566993 0.84 TNFRSF1A (0.54) TNFRSF1AABCG2MEN1LMNAGAA
SCHEMBL5560064 0.84 TNFRSF1A (0.63) TNFRSF1AABCG2MEN1LMNAGAA
SCHEMBL5566181 0.83 TNFRSF1A (0.60) TNFRSF1AABCG2MEN1LMNAGAA

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
WO-2004108094-A2 SULFONAMIDE-SUBSTITUTED CHALCONE DERIVATIVES AND THEIR USE TO TREAT DISEASES ATHEROGENICS, INC. (US) 2004-12-16 WO claimed
WO-2004108094-A2 SULFONAMIDE-SUBSTITUTED CHALCONE DERIVATIVES AND THEIR USE TO TREAT DISEASES ATHEROGENICS, INC. (US) 2004-12-16 WO disclosed