SCHEMBL7965562

SCHEMBL7965562

CC(=O)N(Cc1ccccc1)c1cccc(OCc2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSPO P30536 2/20 0.46
CYP19A1 P11511 2/20 0.45
ALOX5 P09917 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
HPD P32754 5/20 0.43
KDM4E B2RXH2 1/20 0.43
BRD4 O60885 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
PPIA P62937 1/20 0.42
PTGER1 P34995 1/20 0.41
MAPT P10636 3/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL7979057 0.92 KDM4E (0.47) CYP19A1HPDKDM4EMEN1KMT2A
SCHEMBL7979060 0.92 KDM4E (0.47) CYP19A1HPDKDM4EMEN1KMT2A
SCHEMBL7978956 0.91 CYP19A1 (0.45) CYP19A1HPDBRD4MEN1KMT2A
SCHEMBL7975539 0.84 CYP19A1 (0.49) CYP19A1HPDBRD4MEN1KMT2A
SCHEMBL7975536 0.84 CYP19A1 (0.49) CYP19A1HPDBRD4MEN1KMT2A
SCHEMBL7978851 0.79 HPD (0.41) CYP19A1HPDMEN1KMT2APPIA
SCHEMBL7977237 0.79 CYP19A1 (0.47) CYP19A1HPDKDM4EMEN1KMT2A
SCHEMBL7978798 0.79 CYP19A1 (0.47) CYP19A1HPDBRD4MEN1KMT2A
SCHEMBL2986814 0.79 HPD (0.57) HPDMEN1KMT2APPIAPTGER1
SCHEMBL15013285 0.78 MAPT (0.55) CYP19A1HPDMEN1KMT2APPIA

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