SCHEMBL9507972

SCHEMBL9507972

Cc1cccc(C[S+]([O-])c2nc3ccccc3[nH]2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.49
MAPT P10636 3/20 0.49
KMT2A Q03164 3/20 0.49
HTT P42858 3/20 0.49
ALPL P05186 2/20 0.49
ALPI P09923 2/20 0.49
ALPG P10696 2/20 0.49
GAA P10253 1/20 0.42
AR P10275 1/20 0.41
MAPK10 P53779 1/20 0.41
TP53 P04637 2/20 0.41
LMNA P02545 3/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL9692646 0.85 NAMPT (0.38) SMN1; SMN2MAPTKMT2AHTTALPL
SCHEMBL636639 0.84 GAA (0.50) SMN1; SMN2MAPTHTTGAAAR
SCHEMBL6483278 0.84 MAPT (0.55) SMN1; SMN2MAPTKMT2AHTTGAA
SCHEMBL7016502 0.84 SMN1; SMN2 (0.60) SMN1; SMN2MAPTKMT2AHTTMAPK10
SCHEMBL6474729 0.79 ATP4A (0.55) SMN1; SMN2MAPTKMT2AGAATP53
SCHEMBL27990243 0.77 KDM4E (0.47) SMN1; SMN2MAPTKMT2AHTTGAA
SCHEMBL9509195 0.77 ALDH1A1 (0.50) SMN1; SMN2MAPTKMT2AHTTGAA
SCHEMBL31325599 0.77 NPC1 (0.51) SMN1; SMN2MAPTKMT2AHTTGAA
SCHEMBL10867808 0.77 GAA (0.43) SMN1; SMN2MAPTKMT2AHTTGAA
SCHEMBL9398067 0.77 ATP4A (0.42) SMN1; SMN2MAPTKMT2AHTTGAA

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-0204215-B1 2-[(1H-benzimidazol-2-ylsulfinyl)methyl]-benzenamines G.D. Searle & Co. (US) 1993-08-11 EP claimed