SCHEMBL14030752

SCHEMBL14030752

c1ccc(-c2cnc3c(ccc4c(-c5ccccc5)c(-c5ccccc5)cnc43)c2-c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 5/20 0.42
NR1H3 Q13133 5/20 0.42
ENPP1 P22413 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ADORA1 P30542 3/20 0.39
ADORA2A P29274 2/20 0.39
USP7 Q93009 2/20 0.36
AXL P30530 1/20 0.36
CDK8 P49336 1/20 0.36
TNIK Q9UKE5 1/20 0.36
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
METAP2 P50579 1/20 0.35
TNF P01375 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
SCHEMBL21560758 0.88 TOP2A (0.42) NR1H2NR1H3ADORA1ADORA2ACDK8
SCHEMBL21560737 0.88 TOP2A (0.42) NR1H2NR1H3ADORA1ADORA2ACDK8
SCHEMBL21542546 0.88 TOP2A (0.42) NR1H2NR1H3ADORA1ADORA2ACDK8
SCHEMBL21560823 0.88 TOP2A (0.42) NR1H2NR1H3ADORA1ADORA2ACDK8
SCHEMBL30596581 0.87 CCR1 (0.50) NPC1ADORA1ADORA2ANFKB1SMN1; SMN2
SCHEMBL21560936 0.87 PIK3CA (0.43) NR1H2NR1H3ADORA1ADORA2ACDK8
SCHEMBL31171152 0.85 TOP1 (0.42) NR1H2NR1H3NPC1RAB9AMEN1
SCHEMBL21560729 0.84 NR1H2 (0.40) NR1H2NR1H3ENPP1CDK8TNF
SCHEMBL13872016 0.82 L3MBTL1 (0.46) NR1H2NR1H3ENPP1NPC1RAB9A
SCHEMBL1125505 0.78 NR1H2 (0.64) NR1H2NR1H3ENPP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080246395-A1 ORGANIC ELECTROLUMINESCENT DEVICE YAMAGATA PROMOTIONAL ORGANIZATION FOR INDUSTRIAL TECHNOLOGY (JP) 2008-10-09 US disclosed
US-20080246395-A1 ORGANIC ELECTROLUMINESCENT DEVICE YAMAGATA PROMOTIONAL ORGANIZATION FOR INDUSTRIAL TECHNOLOGY (JP) 2008-10-09 US disclosed