SCHEMBL7086767

SCHEMBL7086767

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

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 2/20 0.38
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
GALR3 O60755 1/20 0.35
LMNA P02545 1/20 0.35
NR2F2 P24468 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ABCB1 P08183 3/20 0.35

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
SCHEMBL7084812 0.95 POLA1 (0.38) POLA1MAPTTHRBGALR3LMNA
SCHEMBL7081497 0.93 POLA1 (0.39) POLA1MAPTTHRBGALR3LMNA
SCHEMBL6694017 0.92 POLA1 (0.40) POLA1MAPTTHRBLMNAKMT2A
SCHEMBL7080399 0.88 ABCB1 (0.37) POLA1MAPTTHRBSMN1; SMN2ABCB1
SCHEMBL6694556 0.86 POLA1 (0.41) POLA1MAPTTHRBLMNAKMT2A
SCHEMBL7087551 0.86 POLA1 (0.34) POLA1MAPTTHRBGALR3LMNA
SCHEMBL6670559 0.84 POLA1 (0.42) POLA1MAPTTHRBLMNAKMT2A
SCHEMBL7086388 0.83 ALDH1A1 (0.41) POLA1MAPTTHRBLMNASMN1; SMN2
SCHEMBL6694399 0.82 MAPT (0.41) POLA1MAPTTHRBKMT2ASMN1; SMN2
SCHEMBL7088275 0.81 POLA1 (0.36) POLA1MAPTTHRBGALR3LMNA

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