SCHEMBL16613759

SCHEMBL16613759

CC1(C)C=Cc2c(-c3ccc(-c4cccc5ccccc45)cc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)nc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALK Q9UM73 1/20 0.31
NPY5R Q15761 1/20 0.31
TLR4 O00206 1/20 0.30
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 1/20 0.30
TUBA1B P68363 1/20 0.30
TUBA4A P68366 1/20 0.30
TUBB4B P68371 1/20 0.30
TUBB3 Q13509 1/20 0.30
TUBB2A Q13885 1/20 0.30
TUBB8 Q3ZCM7 1/20 0.30
TUBA3E Q6PEY2 1/20 0.30
TUBA1A Q71U36 1/20 0.30
TUBA1C Q9BQE3 1/20 0.30
TUBB6 Q9BUF5 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
SCHEMBL16613746 0.95 PTGER4 (0.32) PTGER4KDM4EATML3MBTL1TLR4
SCHEMBL16613674 0.95 PTGER4 (0.34) PTGER4KDM4EATML3MBTL1TUBB4A
SCHEMBL16613747 0.93 PTGER4 (0.33) PTGER4KDM4EATML3MBTL1TLR4
SCHEMBL16613745 0.92 KDM4E (0.37) PTGER4KDM4EATML3MBTL1NPY5R
SCHEMBL16613809 0.91 KDM4E (0.36) PTGER4KDM4EATML3MBTL1NPY5R
SCHEMBL16613477 0.91 ENPP3 (0.34) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16613616 0.90 PTGER4 (0.34) PTGER4KDM4EATML3MBTL1NPY5R
SCHEMBL16613676 0.89 PTGER4 (0.34) PTGER4KDM4EATML3MBTL1
SCHEMBL16613675 0.89 PTGER4 (0.35) PTGER4KDM4EATML3MBTL1NPY5R
SCHEMBL16613760 0.87 PTGER4 (0.35) PTGER4KDM4EATML3MBTL1NPY5R

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