SCHEMBL7004432

SCHEMBL7004432

CCCN(CCC)c1cc(-c2ccc3ccccc3n2)c(C)c(N(CCC)CCC)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 2/20 0.40
POLB P06746 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 1/20 0.40
CRHR1 P34998 7/20 0.38
LMNA P02545 1/20 0.36
TERT O14746 1/20 0.35
PTGS2 P35354 1/20 0.35
CYP1A2 P05177 1/20 0.35
TLR8 Q9NR97 1/20 0.35

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
SCHEMBL7004662 0.88 AR (0.41) ARMEN1NPC1POLBRAB9A
SCHEMBL7005082 0.82 AR (0.39) ARMEN1NPC1POLBRAB9A
SCHEMBL7004760 0.81 NCF1 (0.42) ARMEN1NPC1POLBRAB9A
SCHEMBL7004485 0.79 AR (0.40) ARMEN1NPC1POLBRAB9A
SCHEMBL7004097 0.78 NPC1 (0.46) ARMEN1NPC1POLBRAB9A
SCHEMBL7004531 0.74 CRHR1 (0.41) MEN1NPC1RAB9AKMT2AMAPT
SCHEMBL7004513 0.72 AR (0.50) ARMEN1NPC1POLBRAB9A
SCHEMBL6490626 0.69 NPC1 (0.50) ARMEN1NPC1POLBRAB9A
SCHEMBL15249330 0.68 AR (0.51) ARMEN1NPC1RAB9AKMT2A
SCHEMBL7004637 0.68 NPC1 (0.47) ARMEN1NPC1POLBRAB9A

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