SCHEMBL9211973

SCHEMBL9211973

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ TP53 P04637 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ RECQL P46063 2/20 0.44
▸ BLM P54132 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ SLC22A2 O15244 1/20 0.44
▸ SLC22A1 O15245 1/20 0.44
▸ CACNA1F O60840 1/20 0.44
▸ SLC22A3 O75751 1/20 0.44
▸ NSD2 O96028 1/20 0.44
▸ EGFR P00533 1/20 0.44
▸ ESR1 P03372 1/20 0.44
▸ ERBB2 P04626 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44

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
SCHEMBL10627674 1.00 USP2 (0.44) USP2MEN1LMNATP53MAPK1
SCHEMBL9209245 0.84 MEN1 (0.53) USP2MEN1LMNATP53MAPK1
SCHEMBL10629234 0.84 MEN1 (0.53) USP2MEN1LMNATP53MAPK1
SCHEMBL10629074 0.84 MEN1 (0.47) USP2MEN1LMNATP53MAPK1
SCHEMBL10627536 0.84 MEN1 (0.47) USP2MEN1LMNATP53MAPK1
SCHEMBL9214538 0.84 MEN1 (0.47) USP2MEN1LMNATP53MAPK1
SCHEMBL10704466 0.84 MEN1 (0.47) USP2MEN1LMNATP53MAPK1
SCHEMBL9205969 0.82 LMNA (0.48) USP2MEN1LMNATP53MAPK1
SCHEMBL9212707 0.82 LMNA (0.48) USP2MEN1LMNATP53MAPK1
SCHEMBL10627603 0.81 KMT2A (0.51) USP2MEN1LMNATP53MAPK1

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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