SCHEMBL7847575

SCHEMBL7847575

CN(Cc1ccc(Cl)cc1)C(=O)c1c[nH]c2ccc(CN(CCO)Cc3ccccc3)cc2c1=O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.53
GAA P10253 2/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
GLA P06280 2/20 0.53
HPGD P15428 2/20 0.53
MAPT P10636 2/20 0.53
POLB P06746 4/20 0.52
TDP1 Q9NUW8 2/20 0.52
THRB P10828 2/20 0.49
CFTR P13569 1/20 0.47
GABRA1 P14867 5/20 0.46
GABRB2 P47870 5/20 0.46
GABRB1 P18505 1/20 0.45
GABRA3 P34903 1/20 0.45
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.42
ALOX12 P18054 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
SCHEMBL7843626 0.94 GAA (0.47) TP53GAAKDM4EALDH1A1GLA
SCHEMBL7845846 0.85 GAA (0.51) TP53GAAKDM4EALDH1A1GLA
SCHEMBL7834749 0.84 GAA (0.48) TP53GAAKDM4EALDH1A1GLA
SCHEMBL7834064 0.83 GAA (0.51) TP53GAAKDM4EALDH1A1GLA
SCHEMBL7834337 0.81 KDM4E (0.49) TP53GAAKDM4EALDH1A1GLA
SCHEMBL6670716 0.80 TP53 (0.47) TP53GAAKDM4EALDH1A1GLA
SCHEMBL7843694 0.79 GAA (0.46) TP53GAAKDM4EALDH1A1GLA
SCHEMBL19072937 0.79 TP53 (0.68) TP53GAAKDM4EALDH1A1GLA
SCHEMBL6668634 0.77 TP53 (0.46) TP53GAAKDM4EALDH1A1GLA
SCHEMBL7841900 0.77 TP53 (0.46) TP53GAAKDM4EALDH1A1GLA

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-1140850-A1 QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-10-10 EP claimed
WO-2000040561-A1 QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2000-07-13 WO claimed