SCHEMBL790949

SCHEMBL790949

COC(=O)c1cccc(-c2ccc3nc(NCc4ccc(OC)cc4)c(Br)cc3c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 4/20 0.44
PLAT P00750 2/20 0.44
PLG P00747 1/20 0.44
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
FYN P06241 1/20 0.42
ERCC5 P28715 1/20 0.42
FEN1 P39748 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CLK4 Q9HAZ1 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 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
SCHEMBL791124 0.84 APP (0.46) MAPK1ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL790416 0.80 MRGPRX4 (0.50) ALDH1A1MEN1LMNATSHRKMT2A
SCHEMBL31544096 0.77 KMT2A (0.55) ALDH1A1KDM4EHPGDMEN1LMNA
SCHEMBL23756529 0.77 VNN1 (0.47) ALDH1A1KMT2ACA1CA2
SCHEMBL31544102 0.77 TP53 (0.49) KMT2ACA1CA2
SCHEMBL29523642 0.77 APP (0.55) MAPK1ALDH1A1CLK4MEN1USP2
SCHEMBL790421 0.77 APP (0.42) FYNCYP11B1CYP11B2ALDH1A1CLK4
SCHEMBL789699 0.76 HTT (0.56) MAPK1SMN1; SMN2CLK4MEN1KMT2A
SCHEMBL789612 0.76 MEN1 (0.44) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL31544214 0.76 MAPT (0.45) KMT2ACA1CA2

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