SCHEMBL6205142

SCHEMBL6205142

O=C(NCc1ccc2c(c1)OCO2)c1c[nH]c2ccccc2c1=O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.70
HTT P42858 1/20 0.68
ALDH1A1 P00352 3/20 0.66
F2 P00734 1/20 0.66
HSD17B10 Q99714 1/20 0.66
MEN1 O00255 5/20 0.64
KMT2A Q03164 5/20 0.64
NPSR1 Q6W5P4 1/20 0.64
SMN1; SMN2 Q16637 2/20 0.62
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
HPGD P15428 4/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
LMNA P02545 3/20 0.56
TP53 P04637 1/20 0.56
MAPT P10636 1/20 0.56
MAPK1 P28482 1/20 0.56
MMP13 P45452 1/20 0.56
RGS12 O14924 1/20 0.56
POLB P06746 1/20 0.55

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
SCHEMBL6207004 0.83 POLB (0.70) KDM4EHTTALDH1A1F2HSD17B10
SCHEMBL396966 0.82 NPC1 (0.71) NPC1RAB9A
SCHEMBL13091203 0.81 TP53 (0.70) KDM4EALDH1A1F2HSD17B10MEN1
SCHEMBL6205660 0.80 ADORA2A (0.68) KDM4ESMN1; SMN2NPC1RAB9APOLB
SCHEMBL6165240 0.80 KDM4E (0.54) KDM4EALDH1A1F2HSD17B10MEN1
SCHEMBL6207018 0.80 HPGD (0.68) KDM4EALDH1A1F2HSD17B10MEN1
SCHEMBL7742074 0.79 NHERF1 (0.62) SMN1; SMN2NPC1RAB9AL3MBTL1LMNA
SCHEMBL13091211 0.79 MAPT (0.67) KDM4EHTTALDH1A1F2HSD17B10
SCHEMBL13942929 0.79 MAPT (0.75) KDM4EALDH1A1F2HSD17B10MEN1
SCHEMBL13091173 0.79 MAPT (0.75) KDM4EHTTALDH1A1F2HSD17B10

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-1177177-B1 SUBSTITUTED 4-OXO-QUINOLINE-3-CARBOXAMIDES: GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORP (US) 2005-02-23 EP claimed