SCHEMBL7004428

SCHEMBL7004428

Cc1ccc(N(CC(C)C)CC(C)C)cc1-c1ccc2ccccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.47
TLR8 Q9NR97 2/20 0.38
ELANE P08246 1/20 0.38
MEN1 O00255 2/20 0.37
NPC1 O15118 2/20 0.37
POLB P06746 2/20 0.37
RAB9A P51151 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 1/20 0.37
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX15 P16050 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
MBNL1 Q9NR56 1/20 0.36
TACR3 P29371 1/20 0.36

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
SCHEMBL7004513 0.85 AR (0.50) ARMEN1NPC1POLBRAB9A
SCHEMBL7005082 0.82 AR (0.39) ARTLR8ELANEMEN1NPC1
SCHEMBL7004495 0.81 AR (0.50) ARMEN1NPC1POLBRAB9A
SCHEMBL7005582 0.79 NPC1 (0.44) ARTLR8ELANEMEN1NPC1
SCHEMBL12447362 0.75 AR (0.59) ARMEN1NPC1POLBRAB9A
SCHEMBL12319823 0.74 AR (0.57) ARMEN1NPC1POLBRAB9A
SCHEMBL7005310 0.72 CYP2A6 (0.38) ARELANENPC1RAB9AKMT2A
SCHEMBL23458370 0.72 BCHE (0.47) ELANERAB9AKMT2ASMN1; SMN2MAPT
SCHEMBL29862288 0.72 BCHE (0.47) ELANERAB9AKMT2ASMN1; SMN2MAPT
SCHEMBL15683332 0.72 MEN1 (0.56) 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