SCHEMBL9727113

SCHEMBL9727113

Cc1ncccc1-c1ccc(C#N)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.53
MKNK2 Q9HBH9 1/20 0.53
CYP11B2 P19099 4/20 0.47
FABP1 P07148 1/20 0.45
SLC22A12 Q96S37 2/20 0.42
HSD11B1 P28845 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP2A6 P11509 1/20 0.42
APLNR P35414 1/20 0.42
SLC11A2 P49281 1/20 0.42
CSNK1A1 P48729 1/20 0.41
CSNK1D P48730 1/20 0.41
GSK3B P49841 1/20 0.41
CSNK1G2 P78368 1/20 0.41
DHODH Q02127 1/20 0.41
FYN P06241 1/20 0.40
NPY5R Q15761 1/20 0.40
GAA P10253 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
SCHEMBL18255822 0.82 CYP11B2 (0.59) CYP11B2FABP1CSNK1A1CSNK1DGSK3B
SCHEMBL15730519 0.81 CLK4 (0.60)
SCHEMBL15730135 0.79 CYP11B2 (0.48) MKNK1MKNK2CYP11B2
SCHEMBL7662428 0.79 MKNK1 (0.61) MKNK1MKNK2ALDH1A1DHODH
SCHEMBL14430133 0.79 CYP11B2 (0.47) CYP11B2FABP1SLC22A12HSD11B1NPY5R
SCHEMBL27310588 0.79 MKNK1 (0.54) MKNK1MKNK2CYP11B2FABP1SLC22A12
SCHEMBL15674589 0.78 NAAA (0.52) CYP11B2ALDH1A1DHODHFYN
SCHEMBL2757253 0.77 MKNK1 (0.59) MKNK1MKNK2FABP1DHODH
SCHEMBL15730173 0.77 MKNK1 (0.59) MKNK1MKNK2ALDH1A1DHODH
SCHEMBL30563610 0.77 MKNK1 (0.58) MKNK1MKNK2ALDH1A1DHODH

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 8 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-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