SCHEMBL7594352

SCHEMBL7594352

Cc1cc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.52
MCL1 Q07820 4/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
CCR2 P41597 1/20 0.50
PTGES2 Q9H7Z7 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
KDM1A O60341 2/20 0.49
BRD4 O60885 1/20 0.49
HSD11B1 P28845 1/20 0.49
CCR9 P51686 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL7589492 0.90 PTGES2 (0.56) HSD17B2MEN1KMT2APTGES2ALDH1A1
SCHEMBL7594610 0.85 CCR2 (0.65) HSD17B2MCL1MEN1KMT2ACCR2
SCHEMBL7591561 0.82 FFAR4 (0.64) ALDH1A1LMNAGAAHTTCCR9
SCHEMBL9931199 0.81 CCR2 (0.57) MEN1KMT2ACCR2ALDH1A1LMNA
SCHEMBL7588981 0.80 ALDH1A1 (0.64) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL17340514 0.80 HSD17B2 (0.75) HSD17B2MCL1MEN1KMT2ACCR2
SCHEMBL7593595 0.79 CCR9 (0.62) HSD17B2MCL1CCR2PTGES2KDM1A
SCHEMBL7589760 0.79 CCR2 (0.59) MEN1KMT2ACCR2PTGES2ALDH1A1
SCHEMBL15228509 0.79 MCL1 (0.70) MCL1MEN1KMT2ATDP1CCR2
SCHEMBL12406982 0.79 PTGES2 (0.56) MCL1MEN1KMT2ATDP1CCR2

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
EP-1239852-A2 BISSULFONAMIDE DERIVATIVES AS ENZYME INHIBITORS Arrow Therapeutics Limited (GB) 2002-09-18 EP disclosed
WO-2001028537-A2 BISSULFONAMIDE DERIVATIVES AS ENZYME INHIBITORS ARROW THERAPEUTICS LIMITED (GB) 2001-04-26 WO disclosed