SCHEMBL9727056

SCHEMBL9727056

Cc1nc2cc[n+]([O-])cc2n1-c1ccc(C#N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
PIK3CD O00329 2/20 0.39
PIK3CA P42336 2/20 0.39
ALDH1A1 P00352 2/20 0.38
RPS6KB1 P23443 1/20 0.38
GSK3B P49841 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC22A12 Q96S37 1/20 0.37
HPGD P15428 1/20 0.36
CYP19A1 P11511 1/20 0.35
CRHR1 P34998 1/20 0.35
MTOR P42345 1/20 0.35
TRPV1 Q8NER1 1/20 0.33
TDP2 O95551 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32

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
SCHEMBL540942 0.77 MAPK1 (0.68) MAPK1HTTPIK3CDPIK3CAALDH1A1
SCHEMBL9726832 0.74 CYP19A1 (0.52) MAPK1HTTPIK3CDPIK3CACYP19A1
SCHEMBL7491666 0.71 CYP19A1 (0.49) PIK3CDPIK3CACYP19A1
SCHEMBL15558662 0.70 MAPK1 (0.70) MAPK1HTTPIK3CDPIK3CAALDH1A1
SCHEMBL9726868 0.67 CRHR1 (0.42) MAPK1PIK3CDPIK3CAALDH1A1RPS6KB1
SCHEMBL541056 0.67 ALDH1A1 (0.62) MAPK1HTTALDH1A1USP2LMNA
SCHEMBL9726823 0.66 ALDH1A1 (0.48) HTTPIK3CDPIK3CAALDH1A1LMNA
SCHEMBL9386422 0.66 USP14 (0.43) MAPK1PIK3CDPIK3CAALDH1A1USP2
SCHEMBL9726854 0.66 PDE4B (0.55) PIK3CDPIK3CACRHR1
SCHEMBL3666979 0.64 HSD17B10 (0.64) MAPK1HTTALDH1A1USP2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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