SCHEMBL21909759

SCHEMBL21909759

Cc1ccc(N[S+]([O-])c2ccc(NC(=O)c3n[nH]c4c3CCc3ccccc3-4)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.52
NPC1 O15118 8/20 0.52
SMN1; SMN2 Q16637 7/20 0.52
FLT3 P36888 1/20 0.43
MAPT P10636 6/20 0.43
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 1/20 0.36
NOD1 Q9Y239 1/20 0.36
TP53 P04637 2/20 0.36
NFKB1 P19838 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
GAA P10253 1/20 0.36
STAT3 P40763 1/20 0.36
STAT1 P42224 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL6681499 0.86 RAB9A (0.47) RAB9ANPC1SMN1; SMN2FLT3MAPT
SCHEMBL10187028 0.82 SMN1; SMN2 (0.52) RAB9ANPC1SMN1; SMN2FLT3MAPT
SCHEMBL6195935 0.80 RAB9A (0.49) RAB9ANPC1SMN1; SMN2FLT3MAPT
SCHEMBL2187619 0.79 RAB9A (0.48) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL6632697 0.78 RAB9A (0.48) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL10187027 0.76 SMN1; SMN2 (0.51) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL21376322 0.75 RAB9A (0.46) RAB9ANPC1SMN1; SMN2FLT3MAPT
SCHEMBL6198600 0.73 NPC1 (0.64) RAB9ANPC1SMN1; SMN2FLT3MAPT
SCHEMBL3206132 0.69 GSR (0.53) RAB9ANPC1KDM4EALDH1A1KMT2A
SCHEMBL1160454 0.68 NPC1 (0.49) RAB9ANPC1SMN1; SMN2MAPTKDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3626240-A1 PROCESS OF PREPARATION OF A N-ARYL BENZYL SULFONAMIDE SUBSTITUTED WITH AN AMIDO GROUP StemSynergy Therapeutics, Inc. (US) 2020-03-25 EP disclosed