SCHEMBL16482177

SCHEMBL16482177

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

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.35
LIMK1 P53667 1/20 0.33
PRKDC P78527 1/20 0.32
PIM3 Q86V86 2/20 0.31
TNKS O95271 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
F9 P00740 1/20 0.31
PIM1 P11309 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
SCHEMBL16482155 0.91 KDM4E (0.35) ALOX5LIMK1PIM3TNKSTNKS2
SCHEMBL16482173 0.91 LIMK1 (0.34) ALOX5LIMK1PIM3TNKSTNKS2
SCHEMBL16482178 0.91 TNKS (0.36) ALOX5LIMK1PRKDCPIM3TNKS
SCHEMBL16482294 0.91 ALOX5 (0.38) ALOX5LIMK1PRKDCTNKSTNKS2
SCHEMBL16482254 0.90 LIMK1 (0.33) ALOX5LIMK1PRKDCPIM3
SCHEMBL16482175 0.90 LIMK1 (0.33) ALOX5LIMK1PIM3TNKSTNKS2
SCHEMBL16482114 0.90 LIMK1 (0.33) ALOX5LIMK1PIM3TNKSTNKS2
SCHEMBL16482176 0.89 LIMK1 (0.33) ALOX5LIMK1PIM3
SCHEMBL16482226 0.85 ALOX5 (0.34) ALOX5PRKDCTNKSTNKS2
SCHEMBL16482095 0.85 PRKDC (0.31) LIMK1PRKDC

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