SCHEMBL7646047

SCHEMBL7646047

COc1ccc(N2C(=O)c3ccc4c5cccc6c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)ccc(c7ccc(c3c47)C2=O)c65)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 10/20 0.54
▸ MEN1 O00255 9/20 0.54
▸ USP2 O75604 5/20 0.42
▸ ESR1 P03372 1/20 0.41
▸ NPC1 O15118 2/20 0.39
▸ TLR9 Q9NR96 1/20 0.39
▸ NR1H3 Q13133 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ POLB P06746 2/20 0.36
▸ RECQL P46063 2/20 0.36
▸ CASP6 P55212 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ APEX1 P27695 1/20 0.36
▸ CTDSP1 Q9GZU7 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ KEAP1 Q14145 3/20 0.36
▸ NFE2L2 Q16236 3/20 0.36
▸ BLM P54132 1/20 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
SCHEMBL7647371 0.93 KMT2A (0.62) KMT2AMEN1USP2ESR1NPC1
SCHEMBL7649605 0.81 ANPEP (0.43) KMT2AMEN1USP2NR1H3ALDH1A1
SCHEMBL29355675 0.77 ESR1 (0.59) KMT2AMEN1ESR1NR1H3ALDH1A1
SCHEMBL3404909 0.77 ESR1 (0.59) KMT2AMEN1ESR1NR1H3ALDH1A1
SCHEMBL30720985 0.77 ESR1 (0.59) KMT2AMEN1ESR1NR1H3ALDH1A1
SCHEMBL7647376 0.76 KMT2A (0.58) KMT2AMEN1ESR1NPC1TLR9
SCHEMBL7651907 0.75 KMT2A (0.55) KMT2AMEN1ESR1NPC1TLR9
SCHEMBL7651883 0.75 KMT2A (0.58) KMT2AMEN1USP2ESR1NPC1
SCHEMBL7646870 0.75 DPP4 (0.45) KMT2AMEN1USP2NR1H3ALDH1A1
SCHEMBL22726104 0.74 KMT2A (0.74) KMT2AMEN1USP2ESR1NPC1

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-6486319-B1 Thermochromic rylene dyes BASF AKTIENGESELLSCHAFT (DE) 2002-11-26 — — US disclosed
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