SCHEMBL4741864

SCHEMBL4741864

O=S(=O)(c1ccc(Br)cc1C(F)(F)F)N1CCC(F)(F)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
PKM P14618 1/20 0.46
RAB9A P51151 1/20 0.46
TRPV4 Q9HBA0 1/20 0.44
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
GAA P10253 1/20 0.40
EPHX2 P34913 1/20 0.39
HSD11B1 P28845 3/20 0.39
PFKFB3 Q16875 1/20 0.39
S1PR1 P21453 1/20 0.38
TSHR P16473 2/20 0.37
ALDH1A1 P00352 2/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL3020549 0.86 MEN1 (0.54) KMT2AMEN1PKMRAB9ATRPV4
SCHEMBL12656085 0.83 KMT2A (0.51) KMT2AMEN1PKMRAB9ATRPV4
SCHEMBL2964467 0.83 KMT2A (0.49) KMT2AMEN1PKMRAB9ATRPV4
SCHEMBL840799 0.82 CNR2 (0.57) KMT2AMEN1PKMRAB9ATRPV4
SCHEMBL12655990 0.81 L3MBTL1 (0.48) KMT2AMEN1PKMRAB9ATRPV4
SCHEMBL12656087 0.80 RAB9A (0.44) KMT2AMEN1PKMRAB9ATRPV4
SCHEMBL4741871 0.77 HSD17B10 (0.42) KMT2AMEN1CNR1EPHX2S1PR1
SCHEMBL12622152 0.76 L3MBTL1 (0.43) KMT2AMEN1PKMRAB9ATRPV4
SCHEMBL5442261 0.74 TGM2 (0.52) KMT2AMEN1EPHX2ALDH1A1
SCHEMBL2635081 0.74 PKM (0.45) KMT2AMEN1PKMRAB9ATRPV4

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