SCHEMBL9726969

SCHEMBL9726969

CCCC(=O)OC(=O)c1ccc(-c2ocnc2C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.43
IMPDH1 P20839 1/20 0.43
ALDH1A1 P00352 5/20 0.41
GPR119 Q8TDV5 1/20 0.40
GSK3B P49841 2/20 0.34
HPGD P15428 3/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KMT2A Q03164 2/20 0.33
FFAR4 Q5NUL3 1/20 0.33
FBP1 P09467 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 4/20 0.33
MAPT P10636 3/20 0.33
NPC1 O15118 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSP90AA1 P07900 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
SCHEMBL12490092 0.79 IMPDH2 (0.52) IMPDH2IMPDH1ALDH1A1GPR119GSK3B
SCHEMBL20485512 0.77 ALDH1A1 (0.58) ALDH1A1HPGDRAB9ASMN1; SMN2KMT2A
SCHEMBL12490774 0.74 IMPDH2 (0.52) IMPDH2IMPDH1ALDH1A1GPR119HPGD
SCHEMBL8995839 0.74 TDP1 (0.52) ALDH1A1GSK3BRAB9ASMN1; SMN2KMT2A
SCHEMBL12491024 0.73 IMPDH2 (0.51) IMPDH2IMPDH1ALDH1A1GPR119GSK3B
SCHEMBL9385039 0.73 ALDH1A1 (0.36) ALDH1A1HPGDRAB9ASMN1; SMN2KMT2A
SCHEMBL10579985 0.71 HSD17B3 (0.58) ALDH1A1SMN1; SMN2KMT2AMAPTCYP1A2
SCHEMBL719731 0.70 ALDH1A1 (0.48) ALDH1A1RAB9ASMN1; SMN2KMT2AL3MBTL1
SCHEMBL4688387 0.70 HTR7 (0.51) ALDH1A1HPGDRAB9ASMN1; SMN2KMT2A
SCHEMBL8591084 0.70 ALDH1A1 (0.48) ALDH1A1GSK3BHPGDRAB9AKMT2A

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