SCHEMBL7834362

SCHEMBL7834362

COCCOCCN(Cc1ccc(Cl)cc1)C(=O)c1c[nH]c2ccc(CN(C)CC(O)c3ccc(O)cc3)cc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KCNH2 Q12809 1/20 0.38
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRB2 P47870 1/20 0.36
CFTR P13569 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
NHERF1 O14745 1/20 0.35

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
SCHEMBL7842187 0.94 CFTR (0.42) KMT2AHSD17B10GABRA1GABRB1GABRA3
SCHEMBL7845627 0.84 KDM4E (0.44) KMT2AHSD17B10GABRA1GABRB2CFTR
SCHEMBL7858072 0.83 HSD17B10 (0.46) KMT2AHSD17B10GABRA1GABRB1GABRA3
SCHEMBL7834426 0.83 HSD17B10 (0.46) KMT2AHSD17B10GABRA1GABRB1GABRA3
SCHEMBL7845731 0.81 HSD17B10 (0.44) KMT2AHSD17B10GABRA1GABRB1GABRA3
SCHEMBL7845316 0.81 HSD17B10 (0.44) KMT2AHSD17B10GABRA1GABRB2CFTR
SCHEMBL7846612 0.79 HSD17B10 (0.41) KMT2AHSD17B10GABRA1GABRB2CFTR
SCHEMBL7846115 0.78 HSD17B10 (0.42) KMT2AHSD17B10GABRA1GABRB1GABRA3
SCHEMBL7834337 0.78 KDM4E (0.49) KMT2AHSD17B10GABRA1GABRB1GABRA3
SCHEMBL7847448 0.77 GABRA1 (0.44) GABRA1GABRB1GABRA3GABRB2KDM4E

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