SCHEMBL25885181

SCHEMBL25885181

c1ccc(N(c2ccc(-c3cc4ccccc4c4c3sc3ccccc34)cc2)c2ccc3sc4ccccc4c3c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.34
▸ GPR3 P46089 1/20 0.33
▸ GPR84 Q9NQS5 1/20 0.32
▸ TNKS O95271 2/20 0.32
▸ TNKS2 Q9H2K2 2/20 0.32
▸ PTGIR P43119 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ MAPT P10636 2/20 0.31
▸ PTPN7 P35236 1/20 0.30
▸ DUSP3 P51452 1/20 0.30
▸ PTPN12 Q05209 1/20 0.30
▸ PTPN22 Q9Y2R2 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
SCHEMBL24527204 0.95 ALOX5 (0.34) ALOX5GPR84TNKSTNKS2
SCHEMBL25881157 0.93 GPR84 (0.36) ALOX5GPR3GPR84TNKSTNKS2
SCHEMBL25880589 0.89 GPR84 (0.36) ALOX5GPR84TNKSTNKS2ATM
SCHEMBL25881009 0.88 ALOX5 (0.34) ALOX5GPR84TNKSTNKS2L3MBTL1
SCHEMBL25880739 0.87 ALOX5 (0.34) ALOX5GPR84TNKSTNKS2L3MBTL1
SCHEMBL25885177 0.87 GPR3 (0.35) GPR3TNKSTNKS2PTGIRCYP1A2
SCHEMBL25884379 0.86 TNKS (0.34) ALOX5GPR3GPR84TNKSTNKS2
SCHEMBL24657475 0.86 NQO2 (0.34) GPR3GPR84CYP1A2MAPTPTPN7
SCHEMBL25880365 0.86 GPR84 (0.34) ALOX5GPR84TNKSTNKS2
SCHEMBL25880380 0.85 CYP11B1 (0.33) ALOX5GPR84TNKSTNKS2L3MBTL1

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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