SCHEMBL18171874

SCHEMBL18171874

NC(Cc1ccccc1)c1cnc2cc(Br)ccc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.38
LMNA P02545 3/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PABPC1 P11940 1/20 0.36
ROCK2 O75116 2/20 0.35
EPHX1 P07099 1/20 0.35
TLR9 Q9NR96 1/20 0.35
CYP1A2 P05177 1/20 0.35
PTGES O14684 1/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3R1 P27986 1/20 0.34
HIF1A Q16665 1/20 0.34
DPP4 P27487 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL782035 0.87 TLR2 (0.38) PABPC1ROCK2DPP4
SCHEMBL782189 0.85 SCN4A (0.41) HDAC8ROCK2
SCHEMBL780473 0.78 AKT1 (0.40) EPHX1PTGES
SCHEMBL18945036 0.75 EPHX1 (0.42) EPHX1CYP1A2ALDH1A1
SCHEMBL18945327 0.75 EPHX1 (0.42) EPHX1CYP1A2ALDH1A1
SCHEMBL18171881 0.69 PDGFRB (0.61) LMNAHTTSMN1; SMN2CCNCCDK8
SCHEMBL1598483 0.69 BACE1 (0.57) HTTPABPC1TLR9CYP1A2PIK3R1
SCHEMBL23093847 0.69 PABPC1 (0.39) LMNAHTTSMN1; SMN2PABPC1CYP1A2
SCHEMBL29688067 0.69 PABPC1 (0.39) LMNAHTTSMN1; SMN2PABPC1CYP1A2
SCHEMBL18171875 0.69 HTT (0.46) LMNAHTTSMN1; SMN2CCNCCDK8

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-2016170163-A1 SUBSTITUTED QUINOXALINES AND BENZOTRIAZINE P70S6 KINASE INHIBITORS SENTINEL ONCOLOGY LIMITED (GB) 2016-10-27 WO disclosed