SCHEMBL25880728

SCHEMBL25880728

c1ccc(-c2cccc(-c3ccc(N(c4ccccc4)c4cc5ccccc5c5c4sc4ccccc45)cc3)c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LIMK1 P53667 2/20 0.33
▸ TNKS O95271 2/20 0.33
▸ TNKS2 Q9H2K2 2/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ PIM1 P11309 1/20 0.32
▸ PIM3 Q86V86 1/20 0.32
▸ PIM2 Q9P1W9 1/20 0.32
▸ GPR84 Q9NQS5 2/20 0.32
▸ HSD17B1 P14061 2/20 0.32
▸ HSD17B2 P37059 2/20 0.32
▸ NQO1 P15559 1/20 0.31
▸ NQO2 P16083 1/20 0.31
▸ CYP1A1 P04798 1/20 0.31
▸ CYP1B1 Q16678 1/20 0.31
▸ PTPN1 P18031 1/20 0.30
▸ APP P05067 1/20 0.30
▸ F9 P00740 1/20 0.30
▸ PIK3CA P42336 1/20 0.30
▸ PI4KA P42356 1/20 0.30
▸ PI4KB Q9UBF8 1/20 0.30

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
SCHEMBL25880585 0.96 TNKS (0.34) LIMK1TNKSTNKS2ALOX5PIM1
SCHEMBL25880855 0.96 TNKS (0.34) LIMK1TNKSTNKS2ALOX5PIM1
SCHEMBL17740649 0.95 TNKS (0.35) LIMK1TNKSTNKS2ALOX5PIM1
SCHEMBL25880595 0.92 HSD17B1 (0.33) LIMK1TNKSTNKS2PIM1PIM3
SCHEMBL25880999 0.92 HSD17B1 (0.33) LIMK1TNKSTNKS2PIM1PIM3
SCHEMBL25880848 0.91 CA12 (0.38) TNKSTNKS2ALOX5GPR84HSD17B1
SCHEMBL25881150 0.90 TNKS (0.38) TNKSTNKS2NQO1NQO2PTPN1
SCHEMBL24656442 0.90 NQO1 (0.34) TNKSTNKS2GPR84NQO1NQO2
SCHEMBL25884629 0.90 LIMK1 (0.36) LIMK1TNKSTNKS2ALOX5GPR84
SCHEMBL24655625 0.90 F9 (0.34) LIMK1TNKSTNKS2PIM1PIM3

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-2023132694-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-07-13 — — WO disclosed
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