SCHEMBL14979433

SCHEMBL14979433

Cc1cc(-c2ccccc2)ccc1-c1ccc(-c2cnc(-n3c4ccccc4c4ccc5ccccc5c43)nc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
ESR2 Q92731 1/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
LIMK1 P53667 1/20 0.31
PSMB5 P28074 1/20 0.31
CAMKK2 Q96RR4 1/20 0.30
FGFR1 P11362 1/20 0.30
SLC2A1 P11166 1/20 0.30
MAP4K4 O95819 1/20 0.30
TYK2 P29597 1/20 0.30
MINK1 Q8N4C8 1/20 0.30

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
SCHEMBL14979415 0.90 MAPK10 (0.33) CA12CA1CA2CA9NPC1
SCHEMBL14979391 0.90 MAPK10 (0.33) CA12CA1CA2CA9NPC1
SCHEMBL14979314 0.88 FGFR1 (0.35) NPC1RAB9ALIMK1FGFR1CLK4
SCHEMBL14979313 0.88 TNF (0.35) CA12CA1CA2CA9NPC1
SCHEMBL14979394 0.88 TNF (0.35) CA12CA1CA2CA9NPC1
SCHEMBL14979357 0.88 NPC1 (0.37) NPC1RAB9AFGFR1
SCHEMBL14979421 0.87 FEN1 (0.36) PDE3BPDE3A
SCHEMBL14979397 0.86 NPC1 (0.35) NPC1RAB9ALIMK1FGFR1
SCHEMBL14979401 0.86 NPC1 (0.35) NPC1RAB9ALIMK1FGFR1
SCHEMBL14979358 0.86 NPC1 (0.35) NPC1RAB9ALIMK1FGFR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140316136-A1 NOVEL ORGANIC ELECTROLUMINESCENCE COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING SAME ROHM & HAAS ELECT MAT (KR) 2014-10-23 US disclosed
US-20140316136-A1 NOVEL ORGANIC ELECTROLUMINESCENCE COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING SAME ROHM & HAAS ELECT MAT (KR) 2014-10-23 US disclosed
WO-2013073859-A1 NOVEL ORGANIC ELECTROLUMINESCENCE COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2013-05-23 WO disclosed