SCHEMBL9727087

SCHEMBL9727087

CC(=O)C(Br)c1ccc(C#N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.52
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CA2 P00918 3/20 0.42
CA1 P00915 2/20 0.42
ALDH1A1 P00352 2/20 0.41
NOS3 P29474 2/20 0.40
NOS1 P29475 2/20 0.40
CYP2A6 P11509 1/20 0.40
CA12 O43570 1/20 0.40
CA3 P07451 1/20 0.40
CA6 P23280 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
HTT P42858 1/20 0.40
TSHR P16473 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.38
CYP19A1 P11511 2/20 0.38

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
SCHEMBL3017980 0.82 GSK3B (0.53) GSK3BMAPTKDM4EGAAL3MBTL1
SCHEMBL24605822 0.80 GSK3B (0.47) GSK3BMAPTKDM4EGAAL3MBTL1
SCHEMBL5077987 0.80 GSK3B (0.47) GSK3BMAPTKDM4EGAAL3MBTL1
SCHEMBL17902411 0.80 GSK3B (0.46) GSK3BMAPTKDM4EGAAL3MBTL1
SCHEMBL9436048 0.79 GSK3B (0.70) GSK3BMAPTKDM4EGAAL3MBTL1
SCHEMBL19002291 0.78 GSK3B (0.44) GSK3BMAPTKDM4EGAAL3MBTL1
SCHEMBL19002295 0.78 NOS3 (0.46) GSK3BMAPTKDM4EGAAL3MBTL1
SCHEMBL19002300 0.78 GSK3B (0.44) GSK3BMAPTKDM4EGAAL3MBTL1
SCHEMBL9259272 0.78 GSK3B (0.45) GSK3BMAPTKDM4EGAAL3MBTL1
SCHEMBL4059087 0.77 MAPT (0.43) GSK3BMAPTKDM4EGAAL3MBTL1

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