SCHEMBL10700412

SCHEMBL10700412

CCOc1cc2nc([S+]([O-])Cc3c(C)cccc3N(CC)CC)[nH]c2cc1OCC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 3/20 0.34
PLAU P00749 3/20 0.34
F10 P00742 2/20 0.34
F2 P00734 1/20 0.34
PLAT P00750 1/20 0.34
OGT O15294 1/20 0.33
MAPT P10636 4/20 0.33
RAB9A P51151 3/20 0.32
LMNA P02545 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 2/20 0.32
TP53 P04637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32

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
SCHEMBL10701042 0.91 OGT (0.36) PLGPLAUF10F2PLAT
SCHEMBL10698492 0.85 LMNA (0.36) PLGPLAUF10F2PLAT
SCHEMBL10702722 0.81 ACHE (0.35) PLGPLAUF10F2PLAT
SCHEMBL10697516 0.81
SCHEMBL10701918 0.81 AMY1A (0.36) F10MAPTRAB9ALMNANPC1
SCHEMBL10697900 0.79 MAOB (0.38) MAPTLMNASMN1; SMN2TP53KDM4E
SCHEMBL10700237 0.78 PTGS2 (0.47) MAPTRAB9ALMNANPC1TP53
SCHEMBL10700413 0.78 OGT (0.36) PLGPLAUF10OGTMAPT
SCHEMBL10702652 0.78 OGT (0.37) PLGPLAUF10OGTMAPT
SCHEMBL10702170 0.76 MAPT (0.38) PLGPLAUF10F2PLAT

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