SCHEMBL6980565

SCHEMBL6980565

O=C(NCc1ccc(Cl)cc1)c1n[nH]c2c(CN3CCCC(O)C3)cc(CN3CCOCC3)cc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.44
POLA1 P09884 2/20 0.44
ALDH1A1 P00352 1/20 0.39
PARP1 P09874 1/20 0.39
EZH2 Q15910 2/20 0.38
CCR5 P51681 1/20 0.38
ENPP2 Q13822 1/20 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
SCHEMBL6974853 0.92 KCNH2 (0.47) KCNH2POLA1ALDH1A1ENPP2
SCHEMBL6693414 0.86 POLA1 (0.51) KCNH2POLA1ALDH1A1ENPP2
SCHEMBL6692334 0.81 POLA1 (0.52) KCNH2POLA1ALDH1A1ENPP2
SCHEMBL6667762 0.80 MEN1 (0.42) KCNH2POLA1ALDH1A1
SCHEMBL6694266 0.77 POLA1 (0.54) KCNH2POLA1ALDH1A1ENPP2
SCHEMBL6670577 0.77 TSHR (0.47) KCNH2POLA1ENPP2
SCHEMBL6699742 0.76 POLA1 (0.59) KCNH2POLA1ALDH1A1
SCHEMBL6667472 0.74 MEN1 (0.41) KCNH2POLA1ENPP2
SCHEMBL6669289 0.74 NPC1 (0.40) KCNH2POLA1ENPP2
SCHEMBL6972970 0.74 POLA1 (0.41) KCNH2POLA1EZH2ENPP2

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