SCHEMBL790609

SCHEMBL790609

Nc1nc2ccc(I)cc2c(C(=O)O)c1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
DHODH Q02127 5/20 0.46
FABP4 P15090 4/20 0.44
FABP3 P05413 3/20 0.44
PRNP P04156 1/20 0.44
PPARG P37231 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
NR2E3 Q9Y5X4 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
PTGFR P43088 6/20 0.43
FABP5 Q01469 3/20 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
SCHEMBL8792384 0.80 DHODH (0.72) LMNADHODHPTGFR
SCHEMBL789402 0.78 CYP1A2 (0.41) DHODHPTGFR
SCHEMBL790933 0.75 APP (0.47) LMNA
SCHEMBL790759 0.75 KDM4E (0.47) LMNARXFP1
SCHEMBL789718 0.75 CYP1A1 (0.41) DHODH
SCHEMBL17594299 0.75 DHODH (0.71) DHODHPTGFR
SCHEMBL17593597 0.75 PTGFR (0.64) LMNADHODHPTGFR
SCHEMBL790753 0.73 CYP1A2 (0.37) PTGFR
SCHEMBL10277681 0.73 LRRK2 (0.47) RXFP1
SCHEMBL10436444 0.72 DHODH (0.61) DHODHPTGFR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed