SCHEMBL6419583

SCHEMBL6419583

CCSSNC(CS)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ PTGS2 P35354 1/20 0.47
▸ THPO P40225 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ ACE P12821 2/20 0.43
▸ FOLH1 Q04609 1/20 0.37
▸ MME P08473 1/20 0.32
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31

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
SCHEMBL3439556 0.83 KDM4E (0.52) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL2597731 0.80 KDM4E (0.50) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL157552 0.80 KDM4E (0.50) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL2597732 0.80 KDM4E (0.50) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL20508886 0.75 — —
SCHEMBL2991432 0.75 — —
SCHEMBL6575662 0.75 — —
SCHEMBL23829504 0.74 MME (0.36) KDM4EMAPTACEMME
SCHEMBL5003607 0.73 KDM4E (0.47) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL4319221 0.73 KDM4E (0.47) KDM4EMAPTTHRBALOX15NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313738-A4 PROCESS FOR THE PREPARATION AND PURIFICATION OF THIOL-CONTAINING MAYTANSINOIDS IMMUNOGEN INC (US) 2005-01-19 — — EP disclosed
EP-1313738-A1 PROCESS FOR THE PREPARATION AND PURIFICATION OF THIOL-CONTAINING MAYTANSINOIDS Immunogen, Inc. (US) 2003-05-28 — — EP disclosed
WO-2002016368-A1 PROCESS FOR THE PREPARATION AND PURIFICATION OF THIOL-CONTAINING MAYTANSINOIDS IMMUNOGEN, INC. (US) 2002-02-28 — — WO disclosed
Send feedback