SCHEMBL11535756

SCHEMBL11535756

O=C(Nc1cccc2c1C(=O)c1cccc(Sc3ccccc3)c1C2=O)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.66
▸ TDP1 Q9NUW8 2/20 0.66
▸ KDM4E B2RXH2 2/20 0.58
▸ NSD2 O96028 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ CASP3 P42574 2/20 0.57
▸ ALDH1A1 P00352 4/20 0.55
▸ L3MBTL1 Q9Y468 3/20 0.55
▸ GLA P06280 1/20 0.55
▸ MEN1 O00255 1/20 0.52
▸ MMP14 P50281 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ HPGD P15428 3/20 0.52
▸ NPSR1 Q6W5P4 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ MAOA P21397 1/20 0.48
▸ CYP1A2 P05177 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ MDM4 O15151 1/20 0.47
▸ TP53 P04637 1/20 0.47

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
SCHEMBL29607631 0.86 CASP3 (0.73) MAPK1CASP3MEN1MMP14KMT2A
SCHEMBL30111337 0.86 CASP3 (0.73) MAPK1CASP3MEN1MMP14KMT2A
SCHEMBL2877019 0.86 CASP3 (0.73) MAPK1CASP3MEN1MMP14KMT2A
SCHEMBL11533939 0.86 MEN1 (0.64) MAPTTDP1KDM4ENSD2MAPK1
SCHEMBL29358319 0.85 CASP3 (0.71) MAPK1CASP3MEN1MMP14KMT2A
SCHEMBL4622432 0.83 CASP3 (0.69) MAPTTDP1MAPK1CASP3ALDH1A1
SCHEMBL9170052 0.82 CASP3 (0.68) MAPTTDP1MAPK1CASP3ALDH1A1
SCHEMBL10705711 0.82 CASP3 (0.71) MAPK1CASP3MEN1MMP14KMT2A
SCHEMBL30611003 0.81 MEN1 (0.72) MAPK1CASP3MEN1MMP14KMT2A
SCHEMBL1982461 0.81 MEN1 (0.72) MAPK1CASP3MEN1MMP14KMT2A

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
US-4176113-A ANTRAQUINONE DYES CIBA-GEIGY CORPORATION (US) 1979-11-27 — — US disclosed
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