SCHEMBL16159485

SCHEMBL16159485

C1=COC(c2ccnc(-c3c4ccccc4c(-c4cc(-c5ncco5)ccn4)c4ccc(-c5ccc(-c6cccc7ccccc67)cc5)cc34)c2)N1

nearest known ligand 0.31

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 2/20 0.31
ALK Q9UM73 1/20 0.31
ENPP3 O14638 1/20 0.31
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL16159930 0.97 KDM4E (0.31) ENPP1ENPP3KDM4ENPC1ALDH1A1
SCHEMBL16159532 0.91 MCL1 (0.33)
SCHEMBL16159892 0.91 MCL1 (0.34)
SCHEMBL16159483 0.91 MCL1 (0.34)
SCHEMBL16159894 0.90 HDAC4 (0.32)
SCHEMBL16159920 0.90 KDM4E (0.34) KDM4EALDH1A1TP53MAPTSMN1; SMN2
SCHEMBL16159533 0.89 MCL1 (0.33)
SCHEMBL16159449 0.88 ALK (0.32) ENPP1ALKENPP3CCNCCDK8
SCHEMBL16159897 0.87 HDAC4 (0.33)
SCHEMBL16159238 0.86 CCNT1 (0.32) ENPP1ALKENPP3KDM4ENPC1

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-2014163173-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME JNC株式会社 (JP) 2014-10-09 WO disclosed