SCHEMBL790790

SCHEMBL790790

COC(=O)c1ccc2nc(N)c(-c3ccccc3)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.50
HTT P42858 1/20 0.50
EGFR P00533 1/20 0.49
PDGFRB P09619 1/20 0.48
KDR P35968 1/20 0.48
PTGS2 P35354 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
CYP19A1 P11511 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
FGFR1 P11362 1/20 0.45
SRC P12931 1/20 0.45
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 3/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43

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
SCHEMBL789883 0.85 MAP4K4 (0.54) HTTMEN1KMT2ARAB9ANPC1
SCHEMBL23756982 0.79 HTT (0.52) ALOX15HTTMEN1KMT2ARAB9A
SCHEMBL30514939 0.79 HTT (0.52) ALOX15HTTMEN1KMT2ARAB9A
SCHEMBL31419248 0.78 GRM1 (0.51) ALOX15HTTRAB9ANPC1ALDH1A1
SCHEMBL23757853 0.78 HTT (0.51) ALOX15HTTMEN1KMT2ARAB9A
SCHEMBL23774957 0.78 HTT (0.51) ALOX15HTTKMT2ARAB9ANPC1
SCHEMBL23756763 0.78 HTT (0.51) ALOX15HTTMEN1KMT2ARAB9A
SCHEMBL29875621 0.78 HTT (0.51) ALOX15HTTMEN1KMT2ARAB9A
SCHEMBL29437732 0.77 ALOX15 (0.57) ALOX15HTTEGFRMEN1KMT2A
SCHEMBL26613609 0.77 ALOX15 (0.57) ALOX15HTTEGFRMEN1KMT2A

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