SCHEMBL14217449

SCHEMBL14217449

CCCN1C=C/C(=C\C=C\c2sc3ccccc3[n+]2CCOC(C)=O)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
USP2 O75604 2/20 0.40
MTOR P42345 1/20 0.40
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
HTT P42858 4/20 0.39
BLM P54132 3/20 0.39
APP P05067 4/20 0.39
APAF1 O14727 1/20 0.39
ITGB2 P05107 1/20 0.39
ALPL P05186 1/20 0.39
ITGAM P11215 1/20 0.39
GFER P55789 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 3/20 0.38
ALDH1A1 P00352 3/20 0.38
ALOX12 P18054 2/20 0.38
CTNNB1 P35222 2/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL13108229 0.95 NPC1 (0.40) NPC1RAB9AUSP2MTORMEN1
SCHEMBL13108226 0.90 NPC1 (0.41) NPC1RAB9AUSP2MTORMEN1
SCHEMBL12900230 0.86 INSR (0.40) NPC1RAB9AUSP2MTORMEN1
SCHEMBL12733759 0.85 ADRB2 (0.37) NPC1RAB9AUSP2MTORMEN1
SCHEMBL13602008 0.85 ADRB2 (0.37) NPC1RAB9AUSP2MTORMEN1
SCHEMBL14679240 0.85 NPC1 (0.39) NPC1RAB9AUSP2MTORMEN1
SCHEMBL13232589 0.85 NPC1 (0.54) NPC1RAB9AUSP2MTORMEN1
SCHEMBL13124538 0.84 MEN1 (0.37) NPC1RAB9AUSP2MTORMEN1
SCHEMBL12139897 0.84 INSR (0.43) NPC1RAB9AUSP2MTORMEN1
SCHEMBL26845369 0.82 ADRB2 (0.36) NPC1RAB9AUSP2MTORMEN1

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
EP-1918709-A1 Reagent, reagent kit and analyzing method Sysmex Corporation (JP) 2008-05-07 EP disclosed