SCHEMBL16159486

SCHEMBL16159486

C1=COC(c2cccc(-c3c4ccccc4c(-c4cccc(-c5ncco5)c4)c4ccc(-c5cccc6ccccc56)cc34)c2)N1

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
HDAC4 P56524 1/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
MAPK1 P28482 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
ATM Q13315 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
BRD4 O60885 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
SCHEMBL16159449 0.97 ALK (0.32) S1PR1S1PR3HDAC4
SCHEMBL16159464 0.93 HDAC4 (0.34) HDAC4BRD4
SCHEMBL16159526 0.90 HDAC4 (0.32) HDAC4KDM4EALDH1A1TP53MAPT
SCHEMBL16159474 0.90 HDAC4 (0.36) HDAC4BRD4
SCHEMBL16159446 0.90 HDAC4 (0.36) HDAC4BRD4
SCHEMBL16159461 0.90 HDAC4 (0.36) HDAC4BRD4
SCHEMBL16159318 0.90 HDAC4 (0.33) HDAC4
SCHEMBL16159463 0.89 HDAC4 (0.35) HDAC4BRD4
SCHEMBL16159169 0.89 KDM4E (0.32) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL16159490 0.89 HPGDS (0.36) HDAC4BRD4

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