SCHEMBL7977237

SCHEMBL7977237

CN(C(=O)c1ccccc1)c1cccc(OCc2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.47
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
MDM2 Q00987 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PPIA P62937 2/20 0.44
HPD P32754 3/20 0.43
LTB4R Q15722 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.43
KMT2A Q03164 3/20 0.43
MRGPRX4 Q96LA9 2/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 1/20 0.43
ATM Q13315 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
SCHEMBL7975539 0.89 CYP19A1 (0.49) CYP19A1MAPTALDH1A1L3MBTL1PPIA
SCHEMBL7975536 0.89 CYP19A1 (0.49) CYP19A1MAPTALDH1A1L3MBTL1PPIA
SCHEMBL7978798 0.86 CYP19A1 (0.47) CYP19A1MAPTALDH1A1L3MBTL1PPIA
SCHEMBL7975802 0.84 CYP19A1 (0.45) CYP19A1MAPTALDH1A1NPC1HTT
SCHEMBL7977229 0.81 CYP19A1 (0.43) CYP19A1MAPTALDH1A1HPGDL3MBTL1
SCHEMBL7979060 0.80 KDM4E (0.47) CYP19A1ALDH1A1L3MBTL1PPIAHPD
SCHEMBL7979057 0.80 KDM4E (0.47) CYP19A1ALDH1A1L3MBTL1PPIAHPD
SCHEMBL7978956 0.79 CYP19A1 (0.45) CYP19A1MAPTALDH1A1NPC1HTT
SCHEMBL7965562 0.79 TSPO (0.46) CYP19A1MAPTNPC1HTTRAB9A
SCHEMBL15013285 0.78 MAPT (0.55) CYP19A1MAPTALDH1A1NPC1L3MBTL1

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