SCHEMBL9727168

SCHEMBL9727168

N#Cc1ccc(Nc2ncccc2[N+](=O)[O-])cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.64
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
NFKB1 P19838 1/20 0.55
MAPK1 P28482 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
MERTK Q12866 1/20 0.50
CARM1 Q86X55 1/20 0.49
PRMT1 Q99873 1/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ABCG2 Q9UNQ0 3/20 0.46
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PKM P14618 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL31454189 1.00 MAPT (0.64) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL6796348 0.85 MAPT (0.53) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL15954978 0.83 MAPT (0.56) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL2473123 0.83 MAPT (0.47) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL2177925 0.82 MAPT (0.69) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL5022935 0.81 MAPT (0.68) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL29241859 0.81 MAPT (0.68) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL10812183 0.81 MAPT (0.68) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL28525161 0.81 MAPT (0.64) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL2177712 0.81 MAPT (0.68) MAPTNPC1RAB9ANFKB1MAPK1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200203630-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Research & Business Foundation Sungkyunkwan University (KR) 2020-06-25 US disclosed
US-20200203630-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Research & Business Foundation Sungkyunkwan University (KR) 2020-06-25 US disclosed
US-5149814-A Alkyl 2-benzylidene-4-(2-alkylimidazopyrid-1-yl) benzoylacetate esters as intermediate compounds PFIZER INC (US) 1992-09-22 US disclosed
US-5120747-A Antiallergens, antiinflammatory agent PFIZER INC. (US) 1992-06-09 US disclosed
US-5070205-A Chemical intermediate for anticoagulants PFIZER INC. (US) 1991-12-03 US disclosed
EP-0310386-B1 4-ARYL-5-CARBAMOYL-1,4-DIHYDROPYRIDINES Pfizer Limited (GB) 1991-11-06 EP disclosed
US-5063237-A Antiallergens and antiinflammatory agents PFIZER INC. (US) 1991-11-05 US disclosed
US-4935430-A Platelet activating factor antagonists PFIZER INC. (US) 1990-06-19 US disclosed
EP-0310386-A2 4-Aryl-5-carbamoyl-1,4-dihydropyridines Pfizer Limited (GB) 1989-04-05 EP disclosed