SCHEMBL6879563

SCHEMBL6879563

C=C(C(=O)c1ccc(S([NH])(=O)=O)cc1)c1cc(-c2cccs2)c(OC)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 9/20 0.41
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
MAPT P10636 4/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ERN1 O75460 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37

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
SCHEMBL4727715 0.86 TNFRSF1A (0.44) TNFRSF1AMAPTRXFP1ERN1KDM4E
SCHEMBL5560851 0.84 L3MBTL1 (0.39) TNFRSF1ACA2CA9MAPTRXFP1
SCHEMBL5566988 0.83 KMT2A (0.51) RXFP1KDM4EALDH1A1MEN1KMT2A
SCHEMBL5560061 0.83 TNFRSF1A (0.41) TNFRSF1ACA2CA9MAPTRXFP1
SCHEMBL5565370 0.82 MEN1 (0.51) RXFP1ALDH1A1MEN1KMT2ALMNA
SCHEMBL5566178 0.82 TNFRSF1A (0.39) TNFRSF1ACA2CA9MAPTRXFP1
SCHEMBL5561089 0.82 TNFRSF1A (0.39) TNFRSF1ACA2CA9MAPTRXFP1
SCHEMBL5564501 0.82 RXFP1 (0.39) TNFRSF1ACA2CA9MAPTRXFP1
SCHEMBL5560946 0.82 RXFP1 (0.49) RXFP1KDM4EALDH1A1MEN1KMT2A
SCHEMBL5565448 0.81 CA2 (0.36) TNFRSF1ACA2CA9MAPTRXFP1

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