SCHEMBL7424949

SCHEMBL7424949

COC(=O)c1cc(=O)n(Cc2ccc(-c3noc(C)n3)cc2)c2ccc(Oc3cccc(-c4noc(C)n4)c3)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
HTT P42858 2/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
P2RX3 P56373 6/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SPHK2 Q9NRA0 1/20 0.41
SPHK1 Q9NYA1 1/20 0.41
ALOX5AP P20292 3/20 0.40
MAPT P10636 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL7432661 0.95 LMNA (0.47) LMNAHTTRAB9ANPC1TP53
SCHEMBL7428866 0.92 LMNA (0.47) LMNAHTTRAB9ANPC1TP53
SCHEMBL7429663 0.87 LMNA (0.46) LMNAHTTRAB9ANPC1TP53
SCHEMBL7542208 0.87 LMNA (0.47) LMNAHTTRAB9ANPC1TP53
SCHEMBL7432446 0.86 GAA (0.44) LMNAHTTRAB9ANPC1TP53
SCHEMBL7428635 0.86 LMNA (0.42) LMNAHTTRAB9ANPC1TP53
SCHEMBL7421294 0.84 LMNA (0.46) LMNAHTTRAB9ANPC1TP53
SCHEMBL7430917 0.81 MET (0.47) LMNAHTTRAB9ANPC1TP53
SCHEMBL7420652 0.81 RAB9A (0.41) LMNAHTTRAB9ANPC1TP53
SCHEMBL7428080 0.81 MET (0.43) LMNAHTTRAB9ANPC1TP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1107954-A1 2-OXO-$i(2H)-QUINOLINE DERIVATIVES MERCK PATENT GmbH (DE) 2001-06-20 EP disclosed
WO-2000012479-A1 2-OXO-2H-QUINOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2000-03-09 WO disclosed