SCHEMBL25880597

SCHEMBL25880597

c1ccc(-c2ccc(N(c3ccc(-c4cc5ccccc5c5c4sc4ccccc45)cc3)c3ccccc3-c3cccc4ccccc34)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F9 P00740 1/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ CA12 O43570 3/20 0.33
▸ CA1 P00915 3/20 0.33
▸ CA2 P00918 3/20 0.33
▸ CA9 Q16790 3/20 0.33
▸ 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 3/20 0.31
▸ SLC6A9 P48067 1/20 0.31
▸ PPARG P37231 1/20 0.30
▸ PPARA Q07869 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ CASP1 P29466 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
SCHEMBL25884959 0.89 ALOX5 (0.44) F9ALOX5ALDH1A1HPGDGPR84
SCHEMBL25884381 0.89 ALOX5 (0.38) F9ALOX5ALDH1A1HPGDKDM4E
SCHEMBL25881296 0.88 F9 (0.33) F9ALOX5KDM4EMEN1KMT2A
SCHEMBL25884539 0.88 ALOX5 (0.34) F9ALOX5CA12CA1CA2
SCHEMBL25880589 0.88 GPR84 (0.36) F9ALOX5ALDH1A1HPGDKDM4E
SCHEMBL25880851 0.87 CA12 (0.38) F9ALOX5CA12CA1CA2
SCHEMBL25884734 0.86 ALOX5 (0.33) F9ALOX5ALDH1A1HPGDMAPT
SCHEMBL26556753 0.86 F9 (0.37) F9ALOX5CA12CA1CA2
SCHEMBL24472535 0.86 — —
SCHEMBL25137707 0.85 F9 (0.34) F9CA12CA1CA2CA9

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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