SCHEMBL6394653

SCHEMBL6394653

O=S(=O)(Nc1cc(F)ccc1F)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.57
KEAP1 Q14145 1/20 0.56
NFE2L2 Q16236 1/20 0.56
SLC40A1 Q9NP59 2/20 0.55
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
TSHR P16473 1/20 0.53
ACLY P53396 2/20 0.52
CCR2 P41597 1/20 0.51

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
SCHEMBL14838616 0.89 KMT2A (0.59) GRM4KEAP1NFE2L2KMT2AMEN1
SCHEMBL7594380 0.88 KEAP1 (0.62) KEAP1NFE2L2SLC40A1KMT2AMEN1
SCHEMBL5801171 0.86 LMNA (0.61) KEAP1NFE2L2KMT2AMEN1TSHR
SCHEMBL4007436 0.85 ACLY (0.57) GRM4KMT2AMEN1TSHRACLY
SCHEMBL8695450 0.83 KMT2A (0.61) GRM4KEAP1NFE2L2KMT2AMEN1
SCHEMBL2568299 0.82 RECQL (0.58) GRM4KEAP1KMT2AMEN1TSHR
SCHEMBL3724899 0.81 FABP4 (0.59) KMT2ATSHRACLY
SCHEMBL6824081 0.81 CYP2D6 (0.60) GRM4SLC40A1KMT2AMEN1ACLY
SCHEMBL3806499 0.81 ACLY (0.69) KMT2AMEN1ACLYCCR2
SCHEMBL22315132 0.80 MEN1 (0.67) KEAP1NFE2L2KMT2AMEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6967196-B1 Sulfonamide compounds and uses thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2005-11-22 US disclosed
EP-1159263-A1 NOVEL SULFONAMIDE COMPOUNDS AND USES THEREOF Merck & Co., Inc. (US) 2001-12-05 EP disclosed
WO-2000050391-A1 NOVEL SULFONAMIDE COMPOUNDS AND USES THEREOF MERCK & CO., INC. (US) 2000-08-31 WO disclosed
US-4725283-A NITROBENZENE DIRECT DYES FOR HUMAN HAIR L'OREAL (FR) 1988-02-16 US disclosed