SCHEMBL16613409

SCHEMBL16613409

CC1(C)C=c2nc(-n3c4ccccc4c4c5ccccc5ccc43)nc(-c3ccccn3)c2=C1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.32
TGFBR1 P36897 1/20 0.32
AHR P35869 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NPY5R Q15761 1/20 0.31
LRRK2 Q5S007 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
SCHEMBL16613426 0.90 MCL1 (0.36) MCL1TGFBR1KDM4ENPC1RAB9A
SCHEMBL16613415 0.85
SCHEMBL16613478 0.85 TUBB4A (0.30)
SCHEMBL16613416 0.84
SCHEMBL16613440 0.83
SCHEMBL16613497 0.82
SCHEMBL16613417 0.82
SCHEMBL16613408 0.82
SCHEMBL16613479 0.81 ENPP3 (0.32)
SCHEMBL16613504 0.80 TUBB4A (0.32)

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
WO-2015047058-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-04-02 WO disclosed