SCHEMBL9212707

SCHEMBL9212707

CSCC[C@H](NCCNc1ccc(NCCN[C@@H](CCSC)C(=O)O)c2c1C(=O)c1c(O)ccc(O)c1C2=O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ BLM P54132 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ USP2 O75604 2/20 0.48
▸ TP53 P04637 2/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ RECQL P46063 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ PKM P14618 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ NSD2 O96028 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ SLC22A2 O15244 1/20 0.48
▸ SLC22A1 O15245 1/20 0.48
▸ CACNA1F O60840 1/20 0.48
▸ SLC22A3 O75751 1/20 0.48
▸ EGFR P00533 1/20 0.48
▸ ESR1 P03372 1/20 0.48

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
SCHEMBL9205969 1.00 LMNA (0.48) LMNAMEN1BLMKMT2AUSP2
SCHEMBL9211973 0.82 USP2 (0.44) LMNAMEN1BLMKMT2AUSP2
SCHEMBL10627674 0.82 USP2 (0.44) LMNAMEN1BLMKMT2AUSP2
SCHEMBL10704466 0.78 MEN1 (0.47) LMNAMEN1BLMKMT2AUSP2
Hydrochloric Acid SCHEMBL10627617 0.78 MEN1 (0.57) LMNAMEN1BLMKMT2AUSP2
SCHEMBL10633643 0.77 MMP7 (0.42) LMNAMEN1BLMKMT2AUSP2
SCHEMBL9501439 0.74 MEN1 (0.60) LMNAMEN1BLMKMT2AUSP2
SCHEMBL8755755 0.73 RNPEP (0.48) LMNAMAPK1PKMKDM4EALDH1A1
SCHEMBL149342 0.73 RNPEP (0.48) LMNAMAPK1PKMKDM4EALDH1A1
SCHEMBL10630896 0.71 CYP19A1 (0.46) LMNAMEN1BLMKMT2AUSP2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0421441-B1 Pantothenic acid derivatives FUJIREBIO KK (JP) 1995-01-25 — — EP disclosed
US-5120738-A Cardiovascular disorders FUJIREBIO INC. (JP) 1992-06-09 — — US disclosed
EP-0295316-A2 Antitumor amino acid and peptide derivatives of 1,4-bis[ (aminoalkyl and hydroxyaminoalkyl)- amino]-5,8 dihydroxyanthraquinones AMERICAN CYANAMID COMPANY (US) 1988-12-21 — — EP disclosed
US-4732970-A Antitumor amino acid and peptide derivatives of 1,4-bis(aminoalkyl and hydroxy-aminoalkyl)amino)-5,8-dihydroxyanthraquinones AMERICAN CYANAMID COMPANY (US) 1988-03-22 — — US disclosed
Send feedback