SCHEMBL7978956

SCHEMBL7978956

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.45
HPD P32754 6/20 0.43
BRD4 O60885 1/20 0.42
PPIA P62937 2/20 0.42
PTGER1 P34995 1/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 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
L3MBTL1 Q9Y468 1/20 0.40
CTSV O60911 1/20 0.40
CTSL P07711 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MRGPRX4 Q96LA9 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
SCHEMBL7965562 0.91 TSPO (0.46) CYP19A1HPDBRD4PPIAPTGER1
SCHEMBL7978851 0.86 HPD (0.41) CYP19A1HPDPPIAMAPTMEN1
SCHEMBL7979060 0.84 KDM4E (0.47) CYP19A1HPDPPIAMEN1KMT2A
SCHEMBL7979057 0.84 KDM4E (0.47) CYP19A1HPDPPIAMEN1KMT2A
SCHEMBL7975536 0.82 CYP19A1 (0.49) CYP19A1HPDBRD4PPIAMAPT
SCHEMBL7975539 0.82 CYP19A1 (0.49) CYP19A1HPDBRD4PPIAMAPT
SCHEMBL7978798 0.81 CYP19A1 (0.47) CYP19A1HPDBRD4PPIAMAPT
SCHEMBL7977237 0.79 CYP19A1 (0.47) CYP19A1HPDPPIAMAPTMEN1
SCHEMBL7475621 0.79 TP53 (0.46) MAPTMEN1KMT2ANPC1HTT
SCHEMBL2986814 0.79 HPD (0.57) HPDPPIAPTGER1MEN1KMT2A

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