SCHEMBL21909747

SCHEMBL21909747

O=C(Nc1nc(-c2ccccn2)cs1)c1ccc([S+]([O-])N2CCCc3ccccc32)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.57
MAPK1 P28482 2/20 0.57
ALOX15 P16050 2/20 0.57
USP2 O75604 1/20 0.57
ADORA3 P0DMS8 9/20 0.57
KDM4A O75164 3/20 0.57
KDM4B O94953 3/20 0.57
KDM5B Q9UGL1 3/20 0.57
GRM1 Q13255 1/20 0.55
KDM4E B2RXH2 5/20 0.52
MAPT P10636 4/20 0.52
ALDH1A1 P00352 3/20 0.52
KDM5C P41229 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HTT P42858 1/20 0.52
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
TDP1 Q9NUW8 2/20 0.48
MITF O75030 1/20 0.48

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
SCHEMBL21376536 0.89 SMN1; SMN2 (0.63) ADORA3KDM4EMAPTALDH1A1MEN1
SCHEMBL21376323 0.87 L3MBTL1 (0.49) NPC1MAPK1ALOX15USP2ADORA3
SCHEMBL21909786 0.87 ADORA3 (0.56) NPC1MAPK1ALOX15USP2ADORA3
SCHEMBL21910766 0.86 ADORA3 (0.62) NPC1MAPK1ALOX15USP2ADORA3
SCHEMBL662898 0.82 SMN1; SMN2 (0.71) NPC1MAPK1ALOX15USP2ADORA3
SCHEMBL29978107 0.82 SMN1; SMN2 (0.71) NPC1MAPK1ALOX15USP2ADORA3
SCHEMBL21376786 0.81 ADORA3 (0.59) NPC1MAPK1ALOX15USP2ADORA3
SCHEMBL26835068 0.79 SMN1; SMN2 (0.46) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL666388 0.78 SMN1; SMN2 (0.79) NPC1MAPK1ALOX15USP2ADORA3
SCHEMBL21910102 0.78 NR0B1 (0.51) NPC1RAB9A

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