SCHEMBL9205355

SCHEMBL9205355

O=C(O)NC(COCc1ccccc1)C(=O)NCCNc1ccc(NCCNC(=O)C(COCc2ccccc2)NC(=O)O)c2c1C(=O)c1c(O)ccc(O)c1C2=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 5/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ BLM P54132 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ USP2 O75604 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ RECQL P46063 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ MTOR P42345 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ NSD2 O96028 2/20 0.42
▸ SLC22A2 O15244 1/20 0.42
▸ SLC22A1 O15245 1/20 0.42
▸ CACNA1F O60840 1/20 0.42
▸ SLC22A3 O75751 1/20 0.42

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
SCHEMBL10703531 1.00 CTSS (0.42) CTSSSMN1; SMN2MEN1BLMKMT2A
SCHEMBL10704024 0.86 MEN1 (0.46) CTSSSMN1; SMN2MEN1BLMKMT2A
SCHEMBL9207722 0.86 MEN1 (0.46) CTSSSMN1; SMN2MEN1BLMKMT2A
SCHEMBL10629234 0.82 MEN1 (0.53) SMN1; SMN2MEN1BLMKMT2AUSP2
SCHEMBL9209245 0.82 MEN1 (0.53) SMN1; SMN2MEN1BLMKMT2AUSP2
SCHEMBL9214378 0.81 MEN1 (0.45) SMN1; SMN2MEN1BLMKMT2AUSP2
SCHEMBL10701637 0.81 MEN1 (0.45) SMN1; SMN2MEN1BLMKMT2AUSP2
SCHEMBL10631046 0.79 CTSK (0.51) CTSSSMN1; SMN2CTSKSIRT2FOLH1
SCHEMBL9214538 0.79 MEN1 (0.47) CTSSSMN1; SMN2MEN1BLMKMT2A
SCHEMBL10629074 0.79 MEN1 (0.47) CTSSSMN1; SMN2MEN1BLMKMT2A

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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