SCHEMBL7396365

SCHEMBL7396365

O=C(Nc1ccc(S(=O)(=O)CC(O)(CSc2ccccc2)C(=O)O)cc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
TRPV4 Q9HBA0 5/20 0.48
ENPP3 O14638 2/20 0.46
ENPP1 P22413 2/20 0.46
RORC P51449 1/20 0.46
HIF1A Q16665 1/20 0.45
EPAS1 Q99814 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HSD11B1 P28845 1/20 0.44
ENPP2 Q13822 1/20 0.44
TRPV1 Q8NER1 2/20 0.44
PTGS1 P23219 2/20 0.44
HPGD P15428 1/20 0.44
POLB P06746 1/20 0.43
PPARG P37231 1/20 0.43
NCOA2 Q15596 1/20 0.43
NCOA1 Q15788 1/20 0.43

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
SCHEMBL7394539 0.91 KMT2A (0.50) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL7394619 0.89 PRMT1 (0.52) NPC1ENPP3ENPP1KMT2AMEN1
SCHEMBL7398968 0.89 PRMT1 (0.52) NPC1ENPP3ENPP1KMT2AMEN1
SCHEMBL7395666 0.89 NAMPT (0.49) RAB9AKMT2AMEN1KDM4EPOLB
SCHEMBL7396547 0.89 TRPV1 (0.48) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL7493288 0.86 RAB9A (0.51) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL7396188 0.83 NPC1 (0.46) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL7388689 0.82 ENPP1 (0.51) NPC1RAB9AENPP3ENPP1KMT2A
SCHEMBL7399956 0.82 NPC1 (0.51) NPC1RAB9ATRPV4ENPP3ENPP1
SCHEMBL7438033 0.81 RAB9A (0.54) NPC1RAB9AKMT2AMEN1HPGD

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