SCHEMBL7834749

SCHEMBL7834749

CN(Cc1ccc(Cl)cc1)C(=O)c1c[nH]c2ccc(CCCO)cc2c1=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
TP53 P04637 2/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GLA P06280 1/20 0.48
HPGD P15428 1/20 0.48
POLB P06746 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
GABRA1 P14867 4/20 0.47
GABRB2 P47870 4/20 0.47
THRB P10828 1/20 0.45
CFTR P13569 1/20 0.44
PRKAB2 O43741 1/20 0.43
PRKAG1 P54619 1/20 0.43
PRKAA2 P54646 1/20 0.43
PRKAA1 Q13131 1/20 0.43
PRKAG3 Q9UGI9 1/20 0.43
PRKAG2 Q9UGJ0 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43

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
SCHEMBL7845846 0.89 GAA (0.51) GAATP53MAPTKDM4EALDH1A1
SCHEMBL6670716 0.88 TP53 (0.47) GAATP53MAPTKDM4EALDH1A1
SCHEMBL7834064 0.87 GAA (0.51) GAATP53MAPTKDM4EALDH1A1
SCHEMBL7843026 0.87 GABRA1 (0.45) GABRA1GABRB2CFTRPRKAB2PRKAG1
SCHEMBL7843626 0.87 GAA (0.47) GAATP53MAPTKDM4EALDH1A1
SCHEMBL7845927 0.84 HAT1 (0.44) GABRA1GABRB2CFTRPRKAB2PRKAG1
SCHEMBL6686020 0.84 GABRA1 (0.48) POLBGABRA1GABRB2CFTRPRKAB2
SCHEMBL7847575 0.84 TP53 (0.53) GAATP53MAPTKDM4EALDH1A1
SCHEMBL7843694 0.83 GAA (0.46) GAATP53MAPTKDM4EALDH1A1
SCHEMBL7845316 0.82 HSD17B10 (0.44) KDM4EALDH1A1GLAHPGDGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140851-A1 4-OXO-1,4-DIHYDRO-3-QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-10-10 EP claimed
WO-2000040563-A1 4-OXO-1,4-DIHYDRO-3-QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2000-07-13 WO claimed
EP-1140851-A1 4-OXO-1,4-DIHYDRO-3-QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-10-10 EP disclosed
EP-1140850-A1 QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-10-10 EP disclosed
WO-2000040563-A1 4-OXO-1,4-DIHYDRO-3-QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2000-07-13 WO disclosed
WO-2000040561-A1 QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2000-07-13 WO disclosed