SCHEMBL16482155

SCHEMBL16482155

c1ccc(-c2ccc3sc4c(ccc5c4c4cccc(-n6c7ccccc7c7ccccc76)c4n5-c4ccccc4)c3c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LIMK1 P53667 1/20 0.34
TNKS O95271 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
ALOX5 P09917 1/20 0.31
PIM1 P11309 1/20 0.31
PIM3 Q86V86 1/20 0.31
PIM2 Q9P1W9 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
SCHEMBL16482173 0.98 LIMK1 (0.34) KDM4EATML3MBTL1LIMK1TNKS
SCHEMBL16482175 0.97 LIMK1 (0.33) KDM4EATML3MBTL1LIMK1TNKS
SCHEMBL16482226 0.92 ALOX5 (0.34) TNKSTNKS2ALOX5
SCHEMBL16482178 0.92 TNKS (0.36) LIMK1TNKSTNKS2ALOX5PIM1
SCHEMBL16482494 0.92 TNKS (0.36) KDM4EATML3MBTL1TNKSTNKS2
SCHEMBL16482177 0.91 ALOX5 (0.35) LIMK1TNKSTNKS2ALOX5PIM1
SCHEMBL16482114 0.91 LIMK1 (0.33) LIMK1TNKSTNKS2ALOX5PIM1
SCHEMBL16482292 0.91 TNKS (0.36) KDM4EATML3MBTL1TNKSTNKS2
SCHEMBL16482334 0.90 TNKS (0.35) KDM4EATML3MBTL1TNKSTNKS2
SCHEMBL16482497 0.90 TNKS (0.36) KDM4EATML3MBTL1TNKSTNKS2

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-2014057659-A1 COMPOUND, AND ORGANIC ELECTROLUMINESCENT ELEMENT PRODUCED USING SAME 出光興産株式会社 (JP) 2014-04-17 WO disclosed