SCHEMBL6023780

SCHEMBL6023780

COc1ccc(OC)c(NS(=O)(=O)c2ccc3[nH]c(=O)cc(C(F)(F)F)c3c2)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.59
TP53 P04637 3/20 0.59
KMT2A Q03164 5/20 0.51
LMNA P02545 6/20 0.50
ALDH1A1 P00352 4/20 0.50
TSHR P16473 3/20 0.50
HTT P42858 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
JAK2 O60674 1/20 0.50
THRB P10828 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 2/20 0.48
GAA P10253 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPK1 P28482 1/20 0.47
SHMT2 P34897 1/20 0.46
HTR6 P50406 1/20 0.46

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
SCHEMBL5761601 0.90 MAPT (0.51) MAPTTP53KMT2ALMNAALDH1A1
SCHEMBL6023175 0.88 KMT2A (0.52) KMT2AALDH1A1THRBSMN1; SMN2MEN1
SCHEMBL6023752 0.83 SMN1; SMN2 (0.56) MAPTTP53LMNATHRBSMN1; SMN2
SCHEMBL6022246 0.83 TP53 (0.58) MAPTTP53KMT2ALMNAALDH1A1
SCHEMBL1770881 0.79 AR (0.61) MAPTKMT2AALDH1A1TSHRMEN1
SCHEMBL6022360 0.77 POLB (0.53) MAPTTP53
SCHEMBL6022312 0.76 POLB (0.48) MAPTTP53KMT2ALMNA
SCHEMBL6022657 0.76 PKM (0.49) TP53KMT2AMEN1GAA
SCHEMBL6023629 0.76 PKM (0.57) TSHRTHRBSMN1; SMN2GAA
SCHEMBL6022243 0.76 AR (0.61) MAPTTP53KMT2ALMNAALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7009052-B2 Sulfonamide derivatives WARNER LAMBERT COMPANY LLC (US) 2006-03-07 US disclosed