SCHEMBL10032447

SCHEMBL10032447

CC(C)(C)c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6ccc7ccc8ccc(-c9ccc(C(C)(C)C)cc9)cc8c7n6)c6ccccc56)nc4c3c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.39
CCR4 P51679 1/20 0.38
TNF P01375 1/20 0.38
NOD1 Q9Y239 1/20 0.38
TNKS O95271 2/20 0.37
TNKS2 Q9H2K2 2/20 0.37
HIPK2 Q9H2X6 4/20 0.37
HIPK1 Q86Z02 3/20 0.37
HIPK3 Q9H422 3/20 0.37
CLK4 Q9HAZ1 2/20 0.37
MAP3K9 P80192 1/20 0.37
GPR84 Q9NQS5 1/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 3/20 0.36
MEN1 O00255 1/20 0.36
NR2F2 P24468 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
HDAC6 Q9UBN7 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
SCHEMBL10032356 0.88 KIF11 (0.41) KIF11CCR4HIPK2CLK4NPC1
SCHEMBL10032319 0.87 KIF11 (0.42) KIF11CCR4TNFNOD1HIPK2
SCHEMBL10032368 0.85 CCR4 (0.41) KIF11CCR4TNFNOD1TNKS
SCHEMBL10032390 0.85 PLG (0.39) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL10032518 0.84 MEN1 (0.38) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL10032358 0.83 KIF11 (0.39) KIF11CCR4TNFNOD1HIPK2
SCHEMBL10032324 0.81 CYP17A1 (0.44) HIPK2HIPK1HIPK3CLK4NPC1
SCHEMBL23874055 0.80 HIPK2 (0.40) CCR4TNFNOD1TNKSTNKS2
SCHEMBL10032446 0.80 AR (0.37) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL10032336 0.80 CCR4 (0.41) KIF11CCR4TNFNOD1TNKS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114529-B2 Material for lighting emitting device and light emitting device TORAY INDUSTRIES, INC. (JP) 2012-02-14 US disclosed
US-8114529-B2 Material for lighting emitting device and light emitting device TORAY INDUSTRIES, INC. (JP) 2012-02-14 US disclosed
US-20070267958-A1 Material for Light Emitting Device and Light Emitting Device TORAY INDUSTRIES, INC. (JP) 2007-11-22 US disclosed
US-20070267958-A1 Material for Light Emitting Device and Light Emitting Device TORAY INDUSTRIES, INC. (JP) 2007-11-22 US disclosed