SCHEMBL4739150

SCHEMBL4739150

O=C(O)c1cc(S(=O)(=O)N2CCOCC2)c(C(F)(F)F)cc1Br

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSTO1 P78417 1/20 0.50
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PKM P14618 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
CNR2 P34972 2/20 0.44
CNR1 P21554 1/20 0.43
LMNA P02545 1/20 0.43
ENPP2 Q13822 2/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL4741871 0.85 HSD17B10 (0.42) GSTO1MEN1KMT2AALDH1A1CNR1
SCHEMBL4741863 0.78 GSTO1 (0.60) GSTO1MEN1KMT2AALDH1A1PKM
SCHEMBL840799 0.76 CNR2 (0.57) GSTO1MEN1KMT2AALDH1A1NPSR1
SCHEMBL11177460 0.74 PKM (0.58) ALDH1A1KDM4ENPSR1PKMSMN1; SMN2
SCHEMBL22714740 0.73 RECQL (0.48) MEN1KMT2AALDH1A1KDM4ENPSR1
SCHEMBL19667171 0.73 HSD17B10 (0.77) MEN1KMT2AKDM4EPKMSMN1; SMN2
SCHEMBL4760475 0.72 LMNA (0.74) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL4739897 0.72 ALDH1A1 (0.39) GSTO1MEN1KMT2AALDH1A1NPSR1
SCHEMBL840686 0.72 KMT2A (0.57) GSTO1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL14100591 0.72 GSTO1 (0.62) GSTO1MEN1KMT2AALDH1A1NPSR1

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-2008098025-A1 ARYLSULFONAMIDE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-14 WO disclosed
WO-2008098025-A1 ARYLSULFONAMIDE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-14 WO disclosed