SCHEMBL25880997

SCHEMBL25880997

c1ccc(-c2ccccc2N(c2ccc(-c3cccc4ccccc34)cc2)c2cccc3c2ccc2sc4ccccc4c23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F9 P00740 1/20 0.38
▸ CA12 O43570 3/20 0.34
▸ CA1 P00915 3/20 0.34
▸ CA2 P00918 3/20 0.34
▸ CA9 Q16790 3/20 0.34
▸ PPARG P37231 7/20 0.32
▸ PPARA Q07869 7/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ TNF P01375 1/20 0.32
▸ CYP2C9 P11712 2/20 0.31
▸ CYP2C19 P33261 2/20 0.31
▸ PPARD Q03181 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ MCL1 Q07820 1/20 0.30
▸ ACMSD Q8TDX5 1/20 0.30
▸ ENPP3 O14638 1/20 0.30
▸ ENPP1 P22413 1/20 0.30
▸ CHRNB4 P30926 1/20 0.30
▸ CHRNA3 P32297 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
SCHEMBL25881000 0.95 F9 (0.39) F9CA12CA1CA2CA9
SCHEMBL25880725 0.93 F9 (0.35) F9MCL1SLC9A1
SCHEMBL25881003 0.93 F9 (0.35) F9MCL1SLC9A1
SCHEMBL26556743 0.92 F9 (0.37) F9CA12CA1CA2CA9
SCHEMBL24657599 0.92 F9 (0.33) F9CYP1A2
SCHEMBL24962826 0.90 F9 (0.37) F9CA12CA1CA2CA9
SCHEMBL25881013 0.90 F9 (0.39) F9MCL1SLC9A1
SCHEMBL25881146 0.89 S1PR5 (0.35) F9CA12CA1CA2CA9
SCHEMBL24657013 0.89 F9 (0.33) F9CA12CA1CA2CA9
SCHEMBL24963993 0.89 F9 (0.36) 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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