SCHEMBL9528862

SCHEMBL9528862

O=[N+]([O-])c1cccc(OCc2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.54
ADRA1D P25100 1/20 0.54
ADRA1A P35348 1/20 0.54
ADRA1B P35368 1/20 0.54
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
RECQL P46063 1/20 0.51
SGMS2 Q8NHU3 1/20 0.51
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
POLB P06746 2/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
ATM Q13315 1/20 0.49
MAPT P10636 2/20 0.49
MAPK1 P28482 1/20 0.49
PIN1 Q13526 2/20 0.48

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
SCHEMBL15013285 0.90 MAPT (0.55) HTR1AADRA1DADRA1AADRA1BNPC1
SCHEMBL2305236 0.87 NPC1 (0.68) HTR1AADRA1DADRA1AADRA1BNPC1
SCHEMBL30015078 0.87 NPC1 (0.68) HTR1AADRA1DADRA1AADRA1BNPC1
SCHEMBL29617906 0.83 HPD (0.52) HTR1AADRA1DADRA1AADRA1BNPC1
SCHEMBL30318898 0.83 HPD (0.49) HTR1AADRA1DADRA1AADRA1BMEN1
SCHEMBL15536327 0.83 PIN1 (0.50) HTR1AADRA1DADRA1AADRA1BNPC1
SCHEMBL647866 0.83 TDP1 (0.56) HTR1AADRA1DADRA1AADRA1BMEN1
SCHEMBL2892659 0.83 HPD (0.52) HTR1AADRA1DADRA1AADRA1BNPC1
SCHEMBL29617955 0.83 MAPT (0.47) HTR1AADRA1DADRA1AADRA1BNPC1
SCHEMBL1121791 0.83 HPD (0.49) HTR1AADRA1DADRA1AADRA1BMEN1

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 5 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
US-4925853-A Antiinflammatory, antiallergens, antiulcer agents BEECHAM GROUP PLC (GB) 1990-05-15 US disclosed
EP-0266326-A1 Novel derivatives of benzimidazoles active as anti-ulcer agents Aktiebolaget Hässle (SE) 1988-05-04 EP disclosed
EP-0178413-A1 Benzimidazoles BEECHAM GROUP PLC (GB) 1986-04-23 EP disclosed