SCHEMBL7834375

SCHEMBL7834375

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.39
GABRB2 P47870 3/20 0.39
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
POLB P06746 2/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL7843694 0.90 GAA (0.46) GABRA1GABRB2GAAKDM4EALDH1A1
SCHEMBL7847436 0.82 KDM4E (0.44) GABRA1GABRB2GAAKDM4EALDH1A1
SCHEMBL7843172 0.81 GABRA1 (0.40) GABRA1GABRB2GAAKDM4EALDH1A1
SCHEMBL7860741 0.81 GABRA1 (0.39) GABRA1GABRB2POLB
SCHEMBL6670139 0.81 CFTR (0.39) GABRA1GABRB2POLB
SCHEMBL7846548 0.81 CFTR (0.42) GABRA1GABRB2KDM4EALDH1A1GLA
SCHEMBL7833923 0.80 CFTR (0.45) GABRA1GABRB2KDM4EALDH1A1GLA
SCHEMBL7834748 0.80 GAA (0.46) GABRA1GABRB2GAAKDM4EALDH1A1
SCHEMBL7842246 0.79 KDM4E (0.44) GABRA1GABRB2KDM4EALDH1A1GLA
SCHEMBL7835904 0.79 GABRA1 (0.40) GABRA1GABRB2

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