SCHEMBL7834337

SCHEMBL7834337

CN(Cc1ccc2[nH]cc(C(=O)N(C)Cc3ccc(Cl)cc3)c(=O)c2c1)CC(O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
GAA P10253 2/20 0.49
ALDH1A1 P00352 2/20 0.49
TP53 P04637 2/20 0.49
GLA P06280 1/20 0.49
HPGD P15428 1/20 0.49
MAPT P10636 1/20 0.49
POLB P06746 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
THRB P10828 1/20 0.46
CFTR P13569 1/20 0.43
GABRA1 P14867 3/20 0.42
GABRB2 P47870 3/20 0.42
HAT1 O14929 2/20 0.41
EP300 Q09472 2/20 0.41
GABRB1 P18505 1/20 0.41
GABRA3 P34903 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
SCHEMBL7847448 0.85 GABRA1 (0.44) KDM4EGAAALDH1A1TP53GLA
SCHEMBL6671873 0.85 TP53 (0.48) KDM4EGAAALDH1A1TP53GLA
SCHEMBL7842187 0.84 CFTR (0.42) KDM4EALDH1A1GLAHPGDPOLB
SCHEMBL7847575 0.81 TP53 (0.53) KDM4EGAAALDH1A1TP53GLA
SCHEMBL7845846 0.81 GAA (0.51) KDM4EGAAALDH1A1TP53GLA
SCHEMBL7834064 0.81 GAA (0.51) KDM4EGAAALDH1A1TP53GLA
SCHEMBL7843626 0.79 GAA (0.47) KDM4EGAAALDH1A1TP53GLA
SCHEMBL6671877 0.78 POLB (0.50) MAPTPOLBTDP1SMN1; SMN2
SCHEMBL7834749 0.78 GAA (0.48) KDM4EGAAALDH1A1TP53GLA
SCHEMBL7834362 0.78 KMT2A (0.40) KDM4EALDH1A1GLAHPGDKMT2A

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