SCHEMBL7081497

SCHEMBL7081497

CN(C)CC#Cc1cc(CC2CCOC(=O)C2)cc2c(=O)c(C(=O)NCc3ccc(Cl)cc3)nn(C)c12

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 3/20 0.39
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.34
KCNH2 Q12809 2/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GALR3 O60755 1/20 0.34
NR2F2 P24468 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
ABCB1 P08183 1/20 0.34

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
SCHEMBL7086767 0.93 POLA1 (0.38) POLA1MAPTTHRBLMNASMN1; SMN2
SCHEMBL6670559 0.92 POLA1 (0.42) POLA1MAPTTHRBKCNH2LMNA
SCHEMBL7084812 0.91 POLA1 (0.38) POLA1MAPTTHRBKCNH2LMNA
SCHEMBL7080399 0.85 ABCB1 (0.37) POLA1MAPTTHRBSMN1; SMN2ABCB1
SCHEMBL6694017 0.84 POLA1 (0.40) POLA1MAPTTHRBKCNH2LMNA
SCHEMBL7088275 0.83 POLA1 (0.36) POLA1MAPTTHRBKCNH2LMNA
SCHEMBL7087551 0.83 POLA1 (0.34) POLA1MAPTTHRBKCNH2LMNA
SCHEMBL6694556 0.82 POLA1 (0.41) POLA1MAPTTHRBKCNH2LMNA
SCHEMBL6700200 0.82 POLA1 (0.56) POLA1KCNH2RAB9AKMT2AABCB1
SCHEMBL7086388 0.80 ALDH1A1 (0.41) POLA1MAPTTHRBLMNASMN1; SMN2

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