SCHEMBL10700413

SCHEMBL10700413

CCOc1cc2nc([S+]([O-])Cc3ccccc3N(C)CC)[nH]c2cc1OCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGT O15294 1/20 0.36
LMNA P02545 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 3/20 0.32
GCK P35557 2/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 2/20 0.31
HSD17B10 Q99714 2/20 0.31
TP53 P04637 2/20 0.31
NPC1 O15118 1/20 0.31
USP2 O75604 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL10702652 0.92 OGT (0.37) OGTLMNAL3MBTL1MAPTGCK
SCHEMBL10698492 0.91 LMNA (0.36) OGTLMNAL3MBTL1MAPTGCK
SCHEMBL10699952 0.86 PTGS2 (0.35) OGTLMNAL3MBTL1MAPTGCK
SCHEMBL10701638 0.82 MAOB (0.32) OGTLMNAL3MBTL1MAPTALDH1A1
SCHEMBL9678434 0.81 PDE10A (0.39) LMNASMN1; SMN2ALDH1A1KDM4EPOLB
SCHEMBL10702722 0.81 ACHE (0.35) LMNAMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL10700467 0.81 PDE10A (0.36) L3MBTL1SMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL10699725 0.80 ATP4A (0.33) OGTLMNAL3MBTL1MAPTALDH1A1
SCHEMBL10701042 0.79 OGT (0.36) OGTLMNAL3MBTL1PLGPLAU
SCHEMBL10700412 0.78 PLG (0.34) OGTLMNAL3MBTL1MAPTSMN1; SMN2

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
EP-0251536-A1 Benzimidazoles, their production, formulation and use as gastric acid secretion inhibitors FISONS plc (GB) 1988-01-07 EP claimed
EP-0251536-A1 Benzimidazoles, their production, formulation and use as gastric acid secretion inhibitors FISONS plc (GB) 1988-01-07 EP disclosed