SCHEMBL7081528

SCHEMBL7081528

Cn1nc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(CC3CCOC(=O)C3)cc(CCCC[C@@H]3COC(=O)N3)c21

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 3/20 0.35
SCN5A Q14524 3/20 0.35
KCNH2 Q12809 3/20 0.35
HTR1D P28221 2/20 0.34
HTR1B P28222 2/20 0.34
HTR1A P08908 1/20 0.34
HTR2A P28223 1/20 0.34
POLA1 P09884 2/20 0.34
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
THRB P10828 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL6690723 0.93 POLA1 (0.37) CACNA1CSCN5AKCNH2HTR1DHTR1B
SCHEMBL7088275 0.86 POLA1 (0.36) KCNH2POLA1MAPTKMT2ATHRB
SCHEMBL6695901 0.85 POLA1 (0.49) KCNH2POLA1MEN1KMT2A
SCHEMBL7086388 0.84 ALDH1A1 (0.41) POLA1MAPTTHRBRXFP1TDP1
SCHEMBL7079314 0.81 ABCB1 (0.37) POLA1MAPTTHRBTDP1
SCHEMBL6691018 0.80 KCNH2 (0.42) KCNH2POLA1MAPTMEN1KMT2A
SCHEMBL6690157 0.80 KCNH2 (0.42) KCNH2POLA1MAPTMEN1KMT2A
SCHEMBL6700225 0.79 POLA1 (0.35) CACNA1CSCN5AKCNH2POLA1MAPT
SCHEMBL7086001 0.79 POLA1 (0.34) KCNH2POLA1MAPTMEN1KMT2A
SCHEMBL6691671 0.78 CACNA1C (0.35) CACNA1CSCN5AKCNH2HTR1DHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1265873-B1 4-OXO-1,4-DIHYDRO-3-CINNOLINECARBOXAMIDES AS ANTIVIRAL AGENTS UPJOHN CO (US) 2003-10-15 EP claimed