SCHEMBL25878768

SCHEMBL25878768

c1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc3ccc4sc5ccccc5c4c3c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.37
▸ ACMSD Q8TDX5 1/20 0.37
▸ F9 P00740 1/20 0.37
▸ CA12 O43570 3/20 0.36
▸ CA1 P00915 3/20 0.36
▸ CA2 P00918 3/20 0.36
▸ CA9 Q16790 3/20 0.36
▸ S1PR4 O95977 4/20 0.34
▸ S1PR5 Q9H228 4/20 0.34
▸ PPARG P37231 7/20 0.33
▸ PPARA Q07869 7/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ PRKDC P78527 1/20 0.33
▸ PPARD Q03181 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32

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
SCHEMBL25879089 0.96 F9 (0.39) MCL1ACMSDF9CA12CA1
SCHEMBL25879090 0.96 CA12 (0.39) MCL1ACMSDF9CA12CA1
SCHEMBL25882518 0.95 CA12 (0.36) MCL1ACMSDF9CA12CA1
SCHEMBL25878934 0.94 MCL1 (0.38) MCL1ACMSDF9CA12CA1
SCHEMBL25878772 0.94 CA12 (0.38) MCL1ACMSDF9CA12CA1
SCHEMBL25881394 0.94 MCL1 (0.38) MCL1ACMSDF9CA12CA1
SCHEMBL25882357 0.93 F9 (0.36) MCL1ACMSDF9CA12CA1
SCHEMBL25879380 0.93 F9 (0.38) MCL1ACMSDF9CA12CA1
SCHEMBL25879088 0.93 F9 (0.36) MCL1F9
SCHEMBL24657776 0.92 F9 (0.33) MCL1ACMSDF9S1PR4S1PR5

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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