SCHEMBL7388689

SCHEMBL7388689

O=C(Nc1ccc(S(=O)(=O)CC(O)(CSc2ccc(F)cc2)C(=O)O)cc1)c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 2/20 0.51
ENPP2 Q13822 2/20 0.51
KMT2A Q03164 6/20 0.47
NPC1 O15118 2/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 3/20 0.45
PRMT1 Q99873 2/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA9 Q16790 1/20 0.44
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 5/20 0.43
ENPP3 O14638 1/20 0.42
APAF1 O14727 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 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
SCHEMBL7394697 0.91 PRMT1 (0.45) ENPP1ENPP2KMT2ANPC1RAB9A
SCHEMBL7396188 0.91 NPC1 (0.46) KMT2ANPC1HTTRAB9ASMN1; SMN2
SCHEMBL7394619 0.91 PRMT1 (0.52) ENPP1ENPP2KMT2ANPC1SMN1; SMN2
SCHEMBL7398968 0.91 PRMT1 (0.52) ENPP1ENPP2KMT2ANPC1SMN1; SMN2
SCHEMBL7394539 0.91 KMT2A (0.50) KMT2ANPC1HTTRAB9ASMN1; SMN2
SCHEMBL7396365 0.82 NPC1 (0.51) ENPP1ENPP2KMT2ANPC1RAB9A
SCHEMBL7395377 0.82 PRMT1 (0.48) ENPP1ENPP2KMT2ANPC1RAB9A
SCHEMBL7483398 0.80 SMN1; SMN2 (0.50) ENPP1KMT2ANPC1HTTRAB9A
SCHEMBL7433039 0.80 MEN1 (0.42) KMT2ANPC1SMN1; SMN2MAPTPRMT1
SCHEMBL7396547 0.79 TRPV1 (0.48) KMT2ANPC1RAB9ASMN1; SMN2MEN1

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-2002006215-A1 3-ARYLSULFONYL-2-HYDROXY-2-METHYLPROPANOIC ACID DERIVATES PHARMACIA ITALIA S.P.A. (IT) 2002-01-24 WO claimed
WO-2002006215-A1 3-ARYLSULFONYL-2-HYDROXY-2-METHYLPROPANOIC ACID DERIVATES PHARMACIA ITALIA S.P.A. (IT) 2002-01-24 WO disclosed