SCHEMBL24728699

SCHEMBL24728699

Cn1c2ccc(-c3ccccc3)cc2c2ccc3c4ccccc4sc3c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.41
▸ LIMK1 P53667 3/20 0.39
▸ TNKS O95271 1/20 0.37
▸ TNKS2 Q9H2K2 1/20 0.37
▸ ALOX5 P09917 1/20 0.37
▸ RXRA P19793 1/20 0.37
▸ RXRB P28702 1/20 0.37
▸ MAPT P10636 3/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ TSPO P30536 1/20 0.35
▸ ALKBH5 Q6P6C2 1/20 0.35
▸ FTO Q9C0B1 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ NR4A2 P43354 2/20 0.34
▸ PIM3 Q86V86 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ PKLR P30613 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34

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
SCHEMBL25678964 0.93 MAOB (0.42) MAOBLIMK1RXRARXRBTSPO
SCHEMBL24728703 0.84 RXRA (0.40) MAOBLIMK1TNKSTNKS2ALOX5
SCHEMBL17196509 0.84 LIMK1 (0.38) MAOBLIMK1TNKSTNKS2ALOX5
SCHEMBL15126536 0.83 LIMK1 (0.37) LIMK1TNKSTNKS2ALOX5MAPT
SCHEMBL25678907 0.83 MAOB (0.40) MAOBLIMK1RXRARXRBMAPT
SCHEMBL15126456 0.83 LIMK1 (0.37) LIMK1TNKSTNKS2ALOX5MAPT
SCHEMBL13183677 0.83 ALKBH5 (0.50) LIMK1MAPTRXFP1ALKBH5FTO
SCHEMBL17760240 0.82 L3MBTL1 (0.38) LIMK1TNKSTNKS2ALOX5MAPT
SCHEMBL15582924 0.82 TNKS (0.39) LIMK1TNKSTNKS2ALOX5MAPT
SCHEMBL25993491 0.82 KIF11 (0.39) TNKSTNKS2MAPTRXFP1ALKBH5

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
EP-4102588-A1 HOST MATERIAL, COMPOSITION, AND ORGANIC ELECTROLUMINESCENT ELEMENT Kyulux, Inc. (JP) 2022-12-14 — — EP disclosed
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