SCHEMBL9207933

SCHEMBL9207933

CC(C)C(NC(=O)O)C(=O)NCCNc1ccc(NCCNC(=O)C(NC(=O)O)C(C)C)c2c1C(=O)c1c(O)ccc(O)c1C2=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.50
▸ MEN1 O00255 6/20 0.50
▸ LMNA P02545 4/20 0.50
▸ BLM P54132 3/20 0.50
▸ MAPK1 P28482 3/20 0.50
▸ USP2 O75604 2/20 0.50
▸ TP53 P04637 2/20 0.50
▸ RECQL P46063 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ NSD2 O96028 2/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ MTOR P42345 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ SLC22A2 O15244 1/20 0.50
▸ SLC22A1 O15245 1/20 0.50
▸ CACNA1F O60840 1/20 0.50
▸ SLC22A3 O75751 1/20 0.50
▸ EGFR P00533 1/20 0.50
▸ ESR1 P03372 1/20 0.50

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
SCHEMBL10633510 1.00 KMT2A (0.50) KMT2AMEN1LMNABLMMAPK1
SCHEMBL9216088 0.90 MEN1 (0.47) KMT2AMEN1LMNABLMMAPK1
SCHEMBL9212960 0.89 KMT2A (0.51) KMT2AMEN1LMNABLMMAPK1
SCHEMBL10627603 0.89 KMT2A (0.51) KMT2AMEN1LMNABLMMAPK1
SCHEMBL9214538 0.85 MEN1 (0.47) KMT2AMEN1LMNABLMMAPK1
SCHEMBL10629074 0.85 MEN1 (0.47) KMT2AMEN1LMNABLMMAPK1
SCHEMBL10627536 0.85 MEN1 (0.47) KMT2AMEN1LMNABLMMAPK1
SCHEMBL10629234 0.83 MEN1 (0.53) KMT2AMEN1LMNABLMMAPK1
SCHEMBL9209245 0.83 MEN1 (0.53) KMT2AMEN1LMNABLMMAPK1
SCHEMBL10633579 0.82 MEN1 (0.52) KMT2AMEN1LMNABLMMAPK1

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-0295316-B1 Antitumor amino acid and peptide derivatives of 1,4-bis[ (aminoalkyl and hydroxyaminoalkyl)- amino]-5,8 dihydroxyanthraquinones AMERICAN CYANAMID CO (US) 1995-11-08 — — EP disclosed
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