Sugi Predict

Sugi Predict / Compounds / SCHEMBL16482178

SCHEMBL16482178

SCHEMBL16482178

c1ccc(-c2ccc3sc4c(ccc5c4c4cccc(-n6c7ccccc7c7ccccc76)c4n5-c4cccc5c4sc4ccccc45)c3c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 1/20 0.36
▸ TNKS2 Q9H2K2 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ LIMK1 P53667 1/20 0.34
▸ PRKDC P78527 1/20 0.32
▸ PIM3 Q86V86 2/20 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 0.92 KDM4E (0.35) TNKSTNKS2ALOX5LIMK1PIM3
SCHEMBL16482173 0.92 LIMK1 (0.34) TNKSTNKS2ALOX5LIMK1PIM3
SCHEMBL16482177 0.91 ALOX5 (0.35) TNKSTNKS2ALOX5LIMK1PRKDC
SCHEMBL16482175 0.91 LIMK1 (0.33) TNKSTNKS2ALOX5LIMK1PIM3
SCHEMBL16482114 0.91 LIMK1 (0.33) TNKSTNKS2ALOX5LIMK1PIM3
SCHEMBL16482115 0.90 ALOX5 (0.34) TNKSTNKS2ALOX5LIMK1PRKDC
SCHEMBL16482226 0.90 ALOX5 (0.34) TNKSTNKS2ALOX5PRKDC
SCHEMBL16482497 0.90 TNKS (0.36) TNKSTNKS2ALOX5PRKDC
SCHEMBL16482494 0.90 TNKS (0.36) TNKSTNKS2ALOX5PRKDC
SCHEMBL16482248 0.89 TNKS (0.33) TNKSTNKS2ALOX5LIMK1PRKDC

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