SCHEMBL9726900

SCHEMBL9726900

Cc1cc(Nc2ccc(C#N)cc2)c([N+](=O)[O-])c(C)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 1/20 0.51
MAPT P10636 8/20 0.47
L3MBTL1 Q9Y468 5/20 0.47
LMNA P02545 4/20 0.47
TDP1 Q9NUW8 4/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 3/20 0.46
POLB P06746 2/20 0.46
HTT P42858 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
JAK2 O60674 1/20 0.45
MITF O75030 1/20 0.45
PAX8 Q06710 1/20 0.45
CARM1 Q86X55 1/20 0.45
PRMT1 Q99873 1/20 0.45
MAPK1 P28482 1/20 0.44
ABCG2 Q9UNQ0 2/20 0.44
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 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
SCHEMBL9726830 0.79 ABCG2 (0.49) L3MBTL1LMNAGAAKMT2ASMN1; SMN2
SCHEMBL25004693 0.77 MAPT (0.46) MAPTL3MBTL1LMNATDP1GAA
SCHEMBL1625301 0.77 MAPT (0.46) MAPTL3MBTL1LMNATDP1GAA
SCHEMBL25003640 0.76 MAPT (0.45) MAPTL3MBTL1LMNATDP1GAA
Hydrochloric Acid SCHEMBL23089681 0.76 MAPT (0.45) MAPTL3MBTL1LMNATDP1GAA
SCHEMBL7020732 0.75 MAPT (0.49) MAPTL3MBTL1LMNATDP1GAA
SCHEMBL29280753 0.73 MAPT (0.45) MAPTL3MBTL1LMNATDP1GAA
SCHEMBL31026401 0.72 MAPT (0.45) MAPTL3MBTL1LMNATDP1GAA
SCHEMBL10195625 0.72 L3MBTL1 (0.55) MAPTL3MBTL1LMNATDP1KMT2A
SCHEMBL12877828 0.72 LMNA (0.46) MAPTL3MBTL1LMNATDP1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1032648-C Process for preparation of platelet activating factor antagonist FIZER LTD (GB) 1996-08-28 CN 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-4963560-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS PFIZER INC. (US) 1990-10-16 US disclosed
US-4935430-A Platelet activating factor antagonists PFIZER INC. (US) 1990-06-19 US disclosed
EP-0365140-A1 1,4-Dihydropyridine derivatives Pfizer Limited (GB) 1990-04-25 EP disclosed
CN-1032439-A A kind of preparation method of platelet-activating factor antagonist PFIZER LTD (GB) 1989-04-19 CN disclosed
EP-0310386-A2 4-Aryl-5-carbamoyl-1,4-dihydropyridines Pfizer Limited (GB) 1989-04-05 EP disclosed