SCHEMBL6604466

SCHEMBL6604466

COc1c(C(N)=O)cc2ccccc2c1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.53
ALDH1A1 P00352 5/20 0.53
HPGD P15428 4/20 0.53
HSD17B10 Q99714 2/20 0.53
MEN1 O00255 1/20 0.53
CYP1A2 P05177 1/20 0.53
GLA P06280 1/20 0.53
CYP2C19 P33261 1/20 0.53
KMT2A Q03164 1/20 0.53
NPSR1 Q6W5P4 1/20 0.51
CDC25B P30305 2/20 0.48
IKBKB O14920 1/20 0.44
GAA P10253 1/20 0.44
ME2 P23368 1/20 0.43
ME1 P48163 1/20 0.43
ME3 Q16798 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.42
DHODH Q02127 1/20 0.41
HTT P42858 1/20 0.41
ERN1 O75460 1/20 0.41

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
SCHEMBL6604957 0.82 KDM4E (0.54) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL1671183 0.80 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL6602798 0.80 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL3117234 0.80 HPGD (0.55) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL17509531 0.79 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL6603117 0.79 HPGD (0.56) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL6604960 0.77 KDM4E (0.55) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL10584881 0.76 KDM4E (0.77) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL29227828 0.76 CTSD (0.48) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL4656053 0.75 KDM4E (0.51) KDM4EALDH1A1HPGDHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1119551-B1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2004-12-29 EP disclosed
EP-1433783-A2 Naphthalenecarboxamides as tachykinin receptor antagonists AstraZeneca AB (SE) 2004-06-30 EP disclosed
EP-1119551-A1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-08-01 EP disclosed
WO-2000020389-A1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2000-04-13 WO disclosed