SCHEMBL7004513

SCHEMBL7004513

CCN(CC)c1ccc(C)c(-c2ccc3ccccc3n2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.50
TERT O14746 2/20 0.47
MEN1 O00255 4/20 0.42
NPC1 O15118 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 4/20 0.42
POLB P06746 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
USP2 O75604 2/20 0.42
BLM P54132 1/20 0.42
NLRP3 Q96P20 1/20 0.42
CASP1 P29466 2/20 0.41
HTT P42858 2/20 0.41
CASP7 P55210 2/20 0.41
HBB P68871 2/20 0.41
ATM Q13315 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KDM4E B2RXH2 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
SCHEMBL7004428 0.85 AR (0.47) ARMEN1NPC1KMT2AMAPT
SCHEMBL7004495 0.84 AR (0.50) ARTERTMEN1NPC1KMT2A
SCHEMBL7004662 0.81 AR (0.41) ARTERTMEN1NPC1KMT2A
SCHEMBL12447362 0.78 AR (0.59) ARMEN1NPC1KMT2APOLB
SCHEMBL61467 0.78 NPC1 (0.56) ARTERTMEN1NPC1KMT2A
SCHEMBL12319823 0.77 AR (0.57) ARMEN1NPC1KMT2AMAPT
SCHEMBL7004637 0.77 NPC1 (0.47) ARTERTMEN1NPC1KMT2A
SCHEMBL15683332 0.75 MEN1 (0.56) ARMEN1NPC1KMT2AMAPT
SCHEMBL6490626 0.75 NPC1 (0.50) ARTERTMEN1NPC1KMT2A
SCHEMBL29986262 0.73 AR (0.64) ARMEN1NPC1KMT2AMAPT

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-2012064499-A1 PHOSPHORESCENT MATERIALS UNIVERSAL DISPLAY CORPORATION (US) 2012-05-18 WO disclosed