SCHEMBL789801

SCHEMBL789801

COc1ccc(CNc2nc3cc(Cl)c(I)cc3cc2Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
APP P05067 1/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CCNE2 O96020 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 3/20 0.40
EGFR P00533 2/20 0.40
NR2F2 P24468 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
PDE5A O76074 2/20 0.40
CDK1 P06493 1/20 0.40

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
SCHEMBL789699 0.82 HTT (0.56) HTTMEN1KMT2AAPPNPC1
SCHEMBL789612 0.82 MEN1 (0.44) HTTMEN1KMT2AAPPNPC1
SCHEMBL18571730 0.82 MEN1 (0.44) HTTMEN1KMT2AAPPNPC1
SCHEMBL29523642 0.78 APP (0.55) MEN1KMT2AAPPNPC1GAA
SCHEMBL2278793 0.78 MEN1 (0.50) HTTMEN1KMT2AAPPNPC1
SCHEMBL21061514 0.78 EGFR (0.51) HTTMEN1KMT2AAPPNPC1
SCHEMBL21682034 0.76 MEN1 (0.42) HTTMEN1KMT2AAPPNPC1
SCHEMBL21061613 0.75 MEN1 (0.50) HTTMEN1KMT2AAPPNPC1
SCHEMBL30589327 0.75 MEN1 (0.50) HTTMEN1KMT2AAPPNPC1
SCHEMBL21682355 0.75 ALDH1A1 (0.47) HTTMEN1KMT2AAPPNPC1

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