SCHEMBL7845688

SCHEMBL7845688

CCOC(=O)c1c[nH]c2cc(C(C)(C)C)c(I)cc2c1=O

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.58
GABRB2 P47870 4/20 0.58
GABRB1 P18505 3/20 0.57
GABRA3 P34903 3/20 0.57
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 1/20 0.48
CLEC4M Q9H2X3 1/20 0.48

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
SCHEMBL3652845 0.84 GABRA1 (0.65) GABRA1GABRB2GABRB1GABRA3MEN1
SCHEMBL5514815 0.83 GABRA1 (0.63) GABRA1GABRB2GABRB1GABRA3MEN1
SCHEMBL1430455 0.81 GABRA1 (0.65) GABRA1GABRB2GABRB1GABRA3MEN1
SCHEMBL1242568 0.80 GABRA1 (0.70) GABRA1GABRB2GABRB1GABRA3MEN1
SCHEMBL18306161 0.80 GABRA1 (0.59) GABRA1GABRB2GABRB1GABRA3MEN1
SCHEMBL15054614 0.80 KDM4E (0.61) GABRA1GABRB2GABRB1GABRA3MEN1
SCHEMBL28289153 0.79 GABRA1 (0.69) GABRA1GABRB2GABRB1GABRA3MEN1
SCHEMBL4965511 0.79 GABRA1 (0.56) GABRA1GABRB2GABRB1GABRA3MEN1
SCHEMBL1430339 0.78 GABRA1 (0.55) GABRA1GABRB2GABRB1GABRA3MEN1
SCHEMBL263502 0.78 GABRA1 (0.60) GABRA1GABRB2GABRB1GABRA3MEN1

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-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