SCHEMBL6979490

SCHEMBL6979490

Cn1nc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(CN3CCOCC3)cc(C3(C)COCCN3C(=O)O)c21

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 2/20 0.53
KCNH2 Q12809 7/20 0.49
ABCB1 P08183 2/20 0.42
ALDH1A1 P00352 1/20 0.41
ENPP2 Q13822 3/20 0.41
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL7590247 0.83 POLA1 (0.60) POLA1KCNH2ABCB1ALDH1A1ENPP2
SCHEMBL6699742 0.83 POLA1 (0.59) POLA1KCNH2ABCB1ALDH1A1TSHR
SCHEMBL6972970 0.82 POLA1 (0.41) POLA1KCNH2ABCB1ENPP2MEN1
SCHEMBL7590238 0.82 POLA1 (0.61) POLA1KCNH2ABCB1ALDH1A1TSHR
SCHEMBL6695445 0.82 POLA1 (0.61) POLA1KCNH2ABCB1ALDH1A1ENPP2
SCHEMBL6697394 0.82 POLA1 (0.59) POLA1KCNH2ABCB1ALDH1A1TSHR
SCHEMBL6695646 0.81 POLA1 (0.54) POLA1KCNH2ABCB1ALDH1A1ENPP2
SCHEMBL6690159 0.80 POLA1 (0.55) POLA1KCNH2ABCB1ALDH1A1TSHR
SCHEMBL6695780 0.79 KCNH2 (0.55) POLA1KCNH2ABCB1ALDH1A1ENPP2
SCHEMBL6694571 0.79 POLA1 (0.56) POLA1KCNH2ABCB1ALDH1A1ENPP2

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