SCHEMBL7965575

SCHEMBL7965575

CC(C)(C)OC(=O)Nc1cccc(OCc2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPIA P62937 4/20 0.50
BRD4 O60885 1/20 0.49
CYP19A1 P11511 2/20 0.48
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 1/20 0.44
CTSV O60911 1/20 0.43
CTSL P07711 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPD P32754 2/20 0.42
CYP2C9 P11712 1/20 0.42
PTGER1 P34995 1/20 0.42
PPIF P30405 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SGMS2 Q8NHU3 2/20 0.41
HTR1A P08908 1/20 0.41
ADRA1D P25100 1/20 0.41

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
SCHEMBL7981514 0.85 PPIA (0.57) PPIABRD4CYP19A1MEN1KMT2A
SCHEMBL7981517 0.85 PPIA (0.57) PPIABRD4CYP19A1MEN1KMT2A
SCHEMBL7342794 0.84 BRD4 (0.68) PPIABRD4CYP19A1KMT2ACYP2C9
SCHEMBL28519526 0.83 CYP2C19 (0.41) MEN1KMT2AMAPTALDH1A1CYP2C9
SCHEMBL1420955 0.83 PKM (0.46) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL30705048 0.82 BRD4 (0.54) PPIABRD4MEN1KMT2AMAPT
SCHEMBL10437439 0.82 CYP19A1 (0.43) PPIABRD4CYP19A1MEN1KMT2A
SCHEMBL6276534 0.82 MEN1 (0.47) PPIACYP19A1MEN1KMT2AMAPT
SCHEMBL15831277 0.81 MEN1 (0.66) PPIACYP19A1MEN1KMT2AMAPT
SCHEMBL28870996 0.81 BRD4 (0.52) PPIABRD4MEN1KMT2ACTSV

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
US-6194396-B1 ANTIALLERGENS; ANTIINFLAMMATION AGENTS; AUTOIMMUNE DISEASE; ANTISHOCK AGENTS; ANALGESICS; E.G., A 4 OR 7-PHENYLALKYLENE-OXYBENZIMIDAZOLE UNSUBSTITUTED OR SUBSTITUTED IN THE 1,2,3-POSITION WITH AN OXY, AMINO AND/OR THIO GROUP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-02-27 US disclosed
US-6083961-A FOR PREVENTION AND/OR TREATMENT OF BRADYKININ OR ITS ANALOGUES MEDIATED DISEASES SUCH AS ALLERGY, INFLAMMATION, AUTOIMMUNE DISEASE, SHOCK, PAIN FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-04 US disclosed
EP-0774462-A1 HETEROCYCLIC COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-21 EP disclosed