SCHEMBL7978798

SCHEMBL7978798

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.47
HPD P32754 6/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
PPIA P62937 2/20 0.42
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
BRD4 O60885 1/20 0.40
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39

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
SCHEMBL7975536 0.89 CYP19A1 (0.49) CYP19A1HPDPPIAMAPTMEN1
SCHEMBL7975539 0.89 CYP19A1 (0.49) CYP19A1HPDPPIAMAPTMEN1
SCHEMBL7975802 0.89 CYP19A1 (0.45) CYP19A1HPDPPIAMAPTMEN1
SCHEMBL7977229 0.88 CYP19A1 (0.43) CYP19A1HPDMRGPRX4PPIAMAPT
SCHEMBL7977237 0.86 CYP19A1 (0.47) CYP19A1HPDMRGPRX4PPIAMAPT
SCHEMBL7978956 0.81 CYP19A1 (0.45) CYP19A1HPDMRGPRX4PPIAMAPT
SCHEMBL7979060 0.80 KDM4E (0.47) CYP19A1HPDPPIAMEN1KMT2A
SCHEMBL7979057 0.80 KDM4E (0.47) CYP19A1HPDPPIAMEN1KMT2A
SCHEMBL7965562 0.79 TSPO (0.46) CYP19A1HPDPPIAMAPTMEN1
SCHEMBL15013285 0.78 MAPT (0.55) CYP19A1HPDPPIAMAPTMEN1

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