SCHEMBL25880380

SCHEMBL25880380

c1ccc(-c2cccc(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3ccc(-c4cc5ccccc5c5c4sc4ccccc45)cc3)c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 1/20 0.33
▸ ALOX5 P09917 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MPI P34949 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ GPR84 Q9NQS5 2/20 0.32
▸ TNKS O95271 2/20 0.32
▸ TNKS2 Q9H2K2 2/20 0.32
▸ HSD17B1 P14061 1/20 0.31
▸ HSD17B2 P37059 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ L3MBTL1 Q9Y468 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
SCHEMBL25881009 0.97 ALOX5 (0.34) ALOX5ALDH1A1HPGDKDM4EMEN1
SCHEMBL25880739 0.93 ALOX5 (0.34) ALOX5ALDH1A1HPGDKDM4EMEN1
SCHEMBL25881282 0.93 GPR84 (0.32) ALOX5GPR84TNKSTNKS2
SCHEMBL25881002 0.93 S1PR5 (0.34) ALOX5ALDH1A1HPGDKDM4EMEN1
SCHEMBL25880851 0.93 CA12 (0.38) ALOX5ALDH1A1HPGDKDM4EMEN1
SCHEMBL25881165 0.93 S1PR4 (0.32) ALOX5ALDH1A1HPGDKDM4EMEN1
SCHEMBL25880589 0.91 GPR84 (0.36) ALOX5ALDH1A1HPGDKDM4EMEN1
SCHEMBL25881157 0.90 GPR84 (0.36) ALOX5ALDH1A1HPGDKDM4EMEN1
SCHEMBL24472449 0.90 HSD17B1 (0.31) HSD17B1HSD17B2
SCHEMBL22671298 0.88 ALDH1A1 (0.34) CYP11B1ALOX5ALDH1A1HPGDKDM4E

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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