SCHEMBL9209245

SCHEMBL9209245

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.53
▸ KMT2A Q03164 6/20 0.53
▸ BLM P54132 4/20 0.53
▸ MAPK1 P28482 4/20 0.53
▸ NPC1 O15118 4/20 0.53
▸ RAB9A P51151 4/20 0.53
▸ LMNA P02545 3/20 0.53
▸ TDP1 Q9NUW8 3/20 0.53
▸ USP2 O75604 3/20 0.53
▸ RECQL P46063 3/20 0.53
▸ TP53 P04637 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ NSD2 O96028 2/20 0.53
▸ MTOR P42345 2/20 0.53
▸ TOP2A P11388 2/20 0.53
▸ SLC22A2 O15244 1/20 0.53
▸ SLC22A1 O15245 1/20 0.53
▸ CACNA1F O60840 1/20 0.53
▸ SLC22A3 O75751 1/20 0.53
▸ EGFR P00533 1/20 0.53

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
SCHEMBL10629234 1.00 MEN1 (0.53) MEN1KMT2ABLMMAPK1NPC1
SCHEMBL10629074 0.87 MEN1 (0.47) MEN1KMT2ABLMMAPK1NPC1
SCHEMBL10627536 0.87 MEN1 (0.47) MEN1KMT2ABLMMAPK1NPC1
SCHEMBL9214538 0.87 MEN1 (0.47) MEN1KMT2ABLMMAPK1NPC1
SCHEMBL10704024 0.86 MEN1 (0.46) MEN1KMT2ABLMMAPK1NPC1
SCHEMBL9207722 0.86 MEN1 (0.46) MEN1KMT2ABLMMAPK1NPC1
SCHEMBL10701637 0.85 MEN1 (0.45) MEN1KMT2ABLMMAPK1NPC1
SCHEMBL9214378 0.85 MEN1 (0.45) MEN1KMT2ABLMMAPK1NPC1
SCHEMBL9211973 0.84 USP2 (0.44) MEN1KMT2ABLMMAPK1NPC1
SCHEMBL10627674 0.84 USP2 (0.44) MEN1KMT2ABLMMAPK1NPC1

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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