SCHEMBL24722904

SCHEMBL24722904

c1ccc(-c2cc3c4ccccc4sc3c3[nH]c4c(ccc5c6ccccc6sc54)c23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 2/20 0.48
▸ TNKS2 Q9H2K2 2/20 0.48
▸ MAPT P10636 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ ALOX5 P09917 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ HCRTR1 O43613 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ ERCC5 P28715 1/20 0.36
▸ FEN1 P39748 1/20 0.36
▸ F9 P00740 1/20 0.36
▸ CDK4 P11802 5/20 0.36
▸ CCND1 P24385 5/20 0.36
▸ MAP3K9 P80192 3/20 0.36
▸ MAP3K11 Q16584 3/20 0.36

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
SCHEMBL25996710 0.86 MEN1 (0.56) TNKSTNKS2MAPTRAB9AMEN1
SCHEMBL24722903 0.80 ALOX5 (0.50) TNKSTNKS2MAPTRAB9AMEN1
SCHEMBL31125963 0.80 MEN1 (0.55) TNKSTNKS2MAPTRAB9AMEN1
SCHEMBL25396927 0.80 MEN1 (0.55) TNKSTNKS2MAPTRAB9AMEN1
SCHEMBL24701633 0.78 MAPT (0.63) TNKSTNKS2MAPTRAB9AMEN1
SCHEMBL18688084 0.76 MEN1 (0.51) TNKSTNKS2MAPTRAB9AMEN1
SCHEMBL15127089 0.76 MAPT (0.53) TNKSTNKS2MAPTRAB9AMEN1
SCHEMBL24833490 0.76 MEN1 (0.50) TNKSTNKS2MAPTRAB9AMEN1
SCHEMBL25681761 0.75 MEN1 (0.56) TNKSTNKS2MAPTRAB9AMEN1
SCHEMBL26543411 0.75 MAPT (0.51) TNKSTNKS2MAPTRAB9AMEN1

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-2022260119-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2022-12-15 — — WO disclosed
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