SCHEMBL25880848

SCHEMBL25880848

c1ccc(-c2cccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cc4ccccc4c4c3sc3ccccc34)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 3/20 0.38
▸ CA1 P00915 3/20 0.38
▸ CA2 P00918 3/20 0.38
▸ CA9 Q16790 3/20 0.38
▸ F9 P00740 1/20 0.36
▸ MCL1 Q07820 1/20 0.34
▸ ACMSD Q8TDX5 1/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ PPARG P37231 2/20 0.32
▸ PPARA Q07869 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ MPI P34949 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SLC9A1 P19634 1/20 0.31
▸ GPR84 Q9NQS5 2/20 0.31
▸ TNKS O95271 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
SCHEMBL25880362 0.94 F9 (0.37) CA12CA1CA2CA9F9
SCHEMBL25880855 0.94 TNKS (0.34) ALOX5KDM4EMEN1ALDH1A1MAPT
SCHEMBL25880585 0.94 TNKS (0.34) ALOX5KDM4EMEN1ALDH1A1MAPT
SCHEMBL26556753 0.93 F9 (0.37) CA12CA1CA2CA9F9
SCHEMBL25880851 0.92 CA12 (0.38) CA12CA1CA2CA9F9
SCHEMBL25880728 0.91 LIMK1 (0.33) F9ALOX5KDM4EMEN1ALDH1A1
SCHEMBL24658258 0.91 CYP1A1 (0.33) F9ALOX5KDM4EMEN1KMT2A
SCHEMBL24658200 0.91 KDM4E (0.34) F9ALOX5KDM4EMEN1KMT2A
SCHEMBL25884536 0.91 ALOX5 (0.46) F9ALOX5GPR84TNKSTNKS2
SCHEMBL25880999 0.90 HSD17B1 (0.33) KDM4EMEN1ALDH1A1HPGDKMT2A

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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