SCHEMBL22195940

SCHEMBL22195940

c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4sc4cc(-c6nc(-c7ccccc7)nc7c6sc6ccccc67)ccc45)n3)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LIMK1 P53667 14/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ LIMK2 P53671 2/20 0.36
▸ PRKDC P78527 1/20 0.34
▸ PIK3CA P42336 1/20 0.33
▸ PI4KA P42356 1/20 0.33
▸ PI4KB Q9UBF8 1/20 0.33
▸ PIM1 P11309 1/20 0.32
▸ PIM3 Q86V86 1/20 0.32
▸ PIM2 Q9P1W9 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ TNKS O95271 1/20 0.32
▸ TNKS2 Q9H2K2 1/20 0.32

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
SCHEMBL22329484 1.00 LIMK1 (0.40) LIMK1ALOX5LIMK2PRKDCPIK3CA
SCHEMBL22196142 0.98 LIMK1 (0.40) LIMK1ALOX5LIMK2PRKDCPIK3CA
SCHEMBL22196136 0.98 LIMK1 (0.40) LIMK1ALOX5LIMK2PRKDCPIK3CA
SCHEMBL22195662 0.98 ALOX5 (0.41) LIMK1ALOX5LIMK2PRKDCMEN1
SCHEMBL22195744 0.97 ALOX5 (0.40) LIMK1ALOX5LIMK2PRKDCMEN1
SCHEMBL22329481 0.96 ALOX5 (0.41) LIMK1ALOX5LIMK2PRKDCMEN1
SCHEMBL22329455 0.96 ALOX5 (0.41) LIMK1ALOX5LIMK2PRKDCMEN1
SCHEMBL22195580 0.96 ALOX5 (0.41) LIMK1ALOX5LIMK2PRKDCMEN1
SCHEMBL22195840 0.96 LIMK1 (0.41) LIMK1ALOX5LIMK2PRKDCPIK3CA
SCHEMBL22195642 0.96 LIMK1 (0.41) LIMK1ALOX5LIMK2PRKDCPIK3CA

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-2020141949-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 2020-07-09 — — WO disclosed
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