SCHEMBL5035545

SCHEMBL5035545

CCCNC(=O)/C(C#N)=N\Nc1cccc(F)c1I

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
ALOX12 P18054 3/20 0.39
THRB P10828 2/20 0.39
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TP53 P04637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 5/20 0.37
GAA P10253 2/20 0.37
LMNA P02545 2/20 0.37
GFER P55789 1/20 0.37
PTK2B Q14289 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HPGD P15428 1/20 0.36
CRHBP P24387 1/20 0.36
HTT P42858 1/20 0.36
CRHR2 Q13324 1/20 0.36
EPHX1 P07099 1/20 0.33

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
SCHEMBL1960702 1.00 MEN1 (0.48) MEN1KMT2AALOX12THRBALDH1A1
SCHEMBL1960704 1.00 MEN1 (0.48) MEN1KMT2AALOX12THRBALDH1A1
SCHEMBL1962297 0.88 MEN1 (0.49) MEN1KMT2AALOX12THRBALDH1A1
SCHEMBL1963705 0.88 MEN1 (0.49) MEN1KMT2AALOX12THRBALDH1A1
SCHEMBL1960545 0.87 MAPT (0.48) MEN1KMT2AALOX12THRBALDH1A1
SCHEMBL1960547 0.87 MAPT (0.48) MEN1KMT2AALOX12THRBALDH1A1
SCHEMBL14514531 0.87 MEN1 (0.52) MEN1KMT2AALOX12THRBALDH1A1
SCHEMBL9833531 0.83 MAPT (0.41) MEN1KMT2AALOX12THRBALDH1A1
SCHEMBL9833537 0.83 MAPT (0.41) MEN1KMT2AALOX12THRBALDH1A1
SCHEMBL9834091 0.79 MAPT (0.60) MEN1KMT2AALOX12THRBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966158-A1 SUBSTITUTED CINNOLINE DERIVATIVES AS GABAA-RECEPTOR MODULATORS AND METHOD FOR THEIR SYNTHESIS AstraZeneca AB (SE) 2008-09-10 EP disclosed
WO-2007073283-A1 SUBSTITUTED CINNOLINE DERIVATIVES AS GABAA-RECEPTOR MODULATORS AND METHOD FOR THEIR SYNTHESIS ASTRAZENECA AB (SE) 2007-06-28 WO disclosed