SCHEMBL9528101

SCHEMBL9528101

OCc1nc2c(OCc3ccccc3)cccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 3/20 0.55
PDE5A O76074 1/20 0.51
PDE4A P27815 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4C Q08493 1/20 0.51
PDE4D Q08499 1/20 0.51
SRD5A2 P31213 1/20 0.47
MAPT P10636 2/20 0.46
MAPK1 P28482 2/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
DHODH Q02127 2/20 0.46
DRD2 P14416 2/20 0.45
DRD4 P21917 2/20 0.45
DRD3 P35462 2/20 0.45
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GRIN1 Q05586 1/20 0.42

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
SCHEMBL9527738 0.86 PDE5A (0.51) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL23709853 0.82 RHEB (0.62) RHEBRAB9ADRD2DRD4DRD3
SCHEMBL7619109 0.80 DRD2 (0.67) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL23709757 0.80 GRIN1 (0.53) RHEBNPC1TP53RAB9ASMN1; SMN2
SCHEMBL7690181 0.80 RAB9A (0.60) RHEBPDE5APDE4APDE4BPDE4C
SCHEMBL7685877 0.80 NPC1 (0.60) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL18304068 0.78 DRD2 (0.51) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL9528108 0.78 DCPS (0.46) RHEBSRD5A2MAPTMAPK1NPC1
SCHEMBL21703287 0.77 MAPK14 (0.43) RHEBMAPTMAPK1NPC1TP53
SCHEMBL6586376 0.76 SRD5A2 (0.52) PDE5APDE4APDE4BPDE4CPDE4D

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-0266326-B1 NOVEL DERIVATIVES OF BENZIMIDAZOLES ACTIVE AS ANTI-ULCER AGENTS Aktiebolaget Hässle (SE) 1993-03-10 EP disclosed
US-5106862-A DERIVATIVES OF BENZIMIDAZOLES ACTIVE AS ANTI-ULCER AGENTS AKTIEBOLAGET HASSLE (SE) 1992-04-21 US disclosed
EP-0266326-A1 Novel derivatives of benzimidazoles active as anti-ulcer agents Aktiebolaget Hässle (SE) 1988-05-04 EP disclosed