SCHEMBL14596349

SCHEMBL14596349

COc1ccc(-c2cnc(C3CCC(C)CC3)nc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAT2A P31153 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 1/20 0.39
CLK4 Q9HAZ1 2/20 0.39
DYRK1A Q13627 3/20 0.38
PTGS2 P35354 1/20 0.38
ESR2 Q92731 1/20 0.38
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
PLK4 O00444 1/20 0.38
AURKA O14965 1/20 0.38
DYRK3 O43781 1/20 0.38
MAP4K4 O95819 1/20 0.38
NTRK1 P04629 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
SCHEMBL11196841 0.86 HTR2A (0.46) PDGFRBPDGFRANPC1RAB9ACLK4
SCHEMBL11159338 0.82 ALDH1A1 (0.41) PDGFRBPDGFRANPC1RAB9AMAT2A
SCHEMBL8962894 0.81 KDR (0.36) PDGFRBPDGFRANPC1RAB9AMAT2A
SCHEMBL14596351 0.81 ESR2 (0.53) PDGFRBPDGFRANPC1RAB9AMAPT
SCHEMBL170548 0.78 ESR2 (0.53) NPC1RAB9ANPSR1MAPTESR2
SCHEMBL1032531 0.78 MAPK6 (0.47)
SCHEMBL1032533 0.78 MAPK6 (0.47)
SCHEMBL16838740 0.76 NOTUM (0.46) PDGFRBPDGFRANPC1RAB9AMAT2A
SCHEMBL803244 0.72 ESR2 (0.59) MAPTESR2
SCHEMBL18721890 0.71 NQO1 (0.37) NPSR1MAPTESR2

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
US-7195719-B1 High polarization ferroelectric liquid crystal compositions DISPLAYTECH, INC. (US) 2007-03-27 US disclosed