SCHEMBL7005082

SCHEMBL7005082

Cc1c(-c2ccc3ccccc3n2)cc(N(CC(C)C)CC(C)C)cc1N(CC(C)C)CC(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.39
TLR8 Q9NR97 2/20 0.36
ELANE P08246 1/20 0.36
NPC1 O15118 5/20 0.36
RAB9A P51151 5/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
MEN1 O00255 2/20 0.36
POLB P06746 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 4/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
LMNA P02545 2/20 0.35
TACR3 P29371 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 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 0.84 AR (0.41) ARNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL7004432 0.82 AR (0.40) ARTLR8NPC1RAB9ASMN1; SMN2
SCHEMBL7004428 0.82 AR (0.47) ARTLR8ELANENPC1RAB9A
SCHEMBL7005582 0.79 NPC1 (0.44) ARTLR8ELANENPC1RAB9A
SCHEMBL7004760 0.79 NCF1 (0.42) ARNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL7004485 0.74 AR (0.40) ARNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL7004513 0.68 AR (0.50) ARNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL7004498 0.66 TLR8 (0.52) ARTLR8NPC1RAB9ASMN1; SMN2
SCHEMBL16310381 0.66 AR (0.59) ARNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL7004495 0.65 AR (0.50) ARNPC1RAB9ASMN1; SMN2MEN1

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