SCHEMBL7086388

SCHEMBL7086388

Cn1nc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(CC3CCOC(=O)C3)cc(CCc3ccccc3)c21

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
ABCB1 P08183 5/20 0.40
MAPT P10636 2/20 0.39
THRB P10828 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
POLA1 P09884 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MCHR1 Q99705 1/20 0.37
PTGER4 P35408 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CACNA1G O43497 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL6695580 0.92 ALDH1A1 (0.43) ALDH1A1LMNAPOLBPKMABCB1
SCHEMBL7079314 0.91 ABCB1 (0.37) ALDH1A1POLBPKMABCB1MAPT
SCHEMBL7088275 0.88 POLA1 (0.36) LMNAABCB1MAPTTHRBTDP1
SCHEMBL7086001 0.84 POLA1 (0.34) LMNAABCB1MAPTTHRBTDP1
SCHEMBL7081528 0.84 CACNA1C (0.35) MAPTTHRBTDP1POLA1RXFP1
SCHEMBL7080399 0.83 ABCB1 (0.37) ALDH1A1POLBPKMABCB1MAPT
SCHEMBL7086767 0.83 POLA1 (0.38) LMNAABCB1MAPTTHRBPOLA1
SCHEMBL6669520 0.82 ABCB1 (0.39) ALDH1A1POLBPKMABCB1MAPT
SCHEMBL6690157 0.82 KCNH2 (0.42) MAPTPOLA1
SCHEMBL6691018 0.81 KCNH2 (0.42) MAPTPOLA1

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