SCHEMBL10697900

SCHEMBL10697900

CCOc1cc2nc([S+]([O-])Cc3c(C)cccc3N3CCCCC3)[nH]c2cc1OCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.38
DRD4 P21917 1/20 0.36
NTSR1 P30989 3/20 0.34
ATM Q13315 2/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
MAPT P10636 4/20 0.33
LMNA P02545 3/20 0.33
POLB P06746 2/20 0.33
USP2 O75604 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TP53 P04637 1/20 0.32
ALDH1A1 P00352 2/20 0.32
DRD2 P14416 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
TDP1 Q9NUW8 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 0.80 OGT (0.36) LMNA
SCHEMBL10699983 0.80 OPRL1 (0.45) MAOBDRD4MAPTSMN1; SMN2ALDH1A1
SCHEMBL10700412 0.79 PLG (0.34) MAOBMAPTLMNAPOLBUSP2
SCHEMBL10697516 0.78
SCHEMBL10713607 0.72 GFER (0.39) DRD4NTSR1NPSR1DRD2
SCHEMBL10701918 0.70 AMY1A (0.36) HCRTR1HCRTR2MAPTLMNAPOLB
SCHEMBL10702652 0.69 OGT (0.37) MAPTLMNAPOLBUSP2SMN1; SMN2
SCHEMBL10700416 0.69 AMY1A (0.31)
SCHEMBL10698492 0.68 LMNA (0.36) MAOBMAPTLMNAPOLBUSP2
SCHEMBL10713096 0.68 GFER (0.41) DRD4NTSR1LMNAUSP2NPSR1

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 3 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-0270964-A2 Process for obtaining substituted fluorobenzenes BAYER AG (DE) 1988-06-15 EP disclosed
EP-0251536-A1 Benzimidazoles, their production, formulation and use as gastric acid secretion inhibitors FISONS plc (GB) 1988-01-07 EP disclosed