SCHEMBL7396188

SCHEMBL7396188

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 8/20 0.45
POLB P06746 4/20 0.45
PPARG P37231 1/20 0.45
NCOA2 Q15596 1/20 0.45
NCOA1 Q15788 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
MEN1 O00255 7/20 0.43
USP2 O75604 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MITF O75030 1/20 0.43
AURKA O14965 1/20 0.42
MAPT P10636 1/20 0.42
PTPN1 P18031 1/20 0.41
CXCR2 P25025 2/20 0.41
BCL2 P10415 1/20 0.41
BCL2L1 Q07817 1/20 0.41

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 0.92 KMT2A (0.50) NPC1RAB9AHTTSMN1; SMN2KMT2A
SCHEMBL7388689 0.91 ENPP1 (0.51) NPC1RAB9AHTTSMN1; SMN2KMT2A
SCHEMBL7394697 0.90 PRMT1 (0.45) NPC1RAB9ASMN1; SMN2KMT2APOLB
SCHEMBL7396365 0.83 NPC1 (0.51) NPC1RAB9AKMT2APOLBPPARG
SCHEMBL7394619 0.82 PRMT1 (0.52) NPC1SMN1; SMN2KMT2APOLBPPARG
SCHEMBL7398968 0.82 PRMT1 (0.52) NPC1SMN1; SMN2KMT2APOLBPPARG
SCHEMBL7396547 0.80 TRPV1 (0.48) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL7395666 0.80 NAMPT (0.49) RAB9AHTTSMN1; SMN2KMT2APOLB
SCHEMBL7493288 0.80 RAB9A (0.51) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL7397210 0.76 MEN1 (0.56) NPC1RAB9ASMN1; SMN2KMT2APOLB

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