SCHEMBL16482114

SCHEMBL16482114

c1ccc(-c2ccc3sc4c(ccc5c4c4cccc(-n6c7ccccc7c7ccccc76)c4n5-c4cccc5ccccc45)c3c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33
PIM1 P11309 3/20 0.32
PIM2 Q9P1W9 3/20 0.32
PIM3 Q86V86 2/20 0.32
F9 P00740 2/20 0.31
TNKS O95271 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
ALOX5 P09917 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
SCHEMBL16482178 0.91 TNKS (0.36) LIMK1PIM1PIM2PIM3TNKS
SCHEMBL16482155 0.91 KDM4E (0.35) LIMK1PIM1PIM2PIM3TNKS
SCHEMBL16482173 0.91 LIMK1 (0.34) LIMK1PIM1PIM2PIM3TNKS
SCHEMBL16482247 0.90 LIMK1 (0.32) LIMK1CYP1A1CYP1B1F9
SCHEMBL16482175 0.90 LIMK1 (0.33) LIMK1PIM1PIM2PIM3TNKS
SCHEMBL16482177 0.90 ALOX5 (0.35) LIMK1PIM1PIM2PIM3F9
SCHEMBL16482052 0.89 LIMK1 (0.32) LIMK1CYP1A1CYP1B1
SCHEMBL15126642 0.87 CYP1A1 (0.37) LIMK1CYP1A1CYP1B1PIM1PIM2
SCHEMBL16482394 0.87 TDP1 (0.33) TNKSTNKS2ALOX5
SCHEMBL19653282 0.86 ALOX5 (0.38) CYP1A1CYP1B1TNKSTNKS2ALOX5

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