SCHEMBL13632146

SCHEMBL13632146

Nc1ccc(C#Cc2cscc2B(O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.47
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.31
NPC1 O15118 2/20 0.31
KMT2A Q03164 2/20 0.31
RAB9A P51151 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PTPN1 P18031 1/20 0.30
PTPN11 Q06124 1/20 0.30

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
SCHEMBL9611200 0.68 APP (1.00) APPMAPTMEN1NPC1KMT2A
SCHEMBL864945 0.68 APP (1.00) APPMAPTMEN1NPC1KMT2A
SCHEMBL28719719 0.67 APP (0.74) APPMAPTMEN1NPC1KMT2A
SCHEMBL21903463 0.64 APP (0.88) APPMAPTMEN1NPC1KMT2A
SCHEMBL18763506 0.63 APP (1.00) APPMAPTMEN1NPC1KMT2A
SCHEMBL10035461 0.63 APP (0.74) APPMAPTMEN1KMT2AALDH1A1
SCHEMBL28765066 0.62 APP (0.57) APPMAPTMEN1NPC1KMT2A
SCHEMBL27701520 0.62 APP (0.56) APPMAPTMEN1NPC1KMT2A
SCHEMBL3122121 0.62 APP (0.72) APPMAPTMEN1KMT2AALDH1A1
SCHEMBL13299891 0.61 APP (0.61) APPMAPTMEN1NPC1KMT2A

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-2009143359-A2 AMIDO ANTI-VIRAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-11-26 WO disclosed