SCHEMBL3378628

SCHEMBL3378628

CSCC[C@H](NCl)C(=O)OBr.NC(=O)CC[C@@H](C(=O)O)N(Cl)Br

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.32
NPSR1 Q6W5P4 2/20 0.32
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
USP2 O75604 2/20 0.32
TSHR P16473 1/20 0.32
LMNA P02545 2/20 0.32
PKM P14618 1/20 0.32
GAA P10253 1/20 0.31
CA2 P00918 3/20 0.31
MAPK1 P28482 2/20 0.31
CA1 P00915 2/20 0.31
TP53 P04637 1/20 0.31
ALOX15 P16050 1/20 0.31
RAB9A P51151 1/20 0.31
ATM Q13315 1/20 0.30
RECQL P46063 1/20 0.30

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
SCHEMBL3378632 0.83 RNPEP (0.39) ALOX15
SCHEMBL3378637 0.83 RNPEP (0.39) ALOX15
SCHEMBL3382371 0.74 KMT2A (0.47) ALOX15
SCHEMBL3382374 0.74 KMT2A (0.47) ALOX15
SCHEMBL3379508 0.73 RNPEP (0.47) ALDH1A1NPSR1KDM4EL3MBTL1USP2
SCHEMBL3379504 0.73 RNPEP (0.47) ALDH1A1NPSR1KDM4EL3MBTL1USP2
SCHEMBL13400533 0.67 L3MBTL1 (0.52) ALDH1A1L3MBTL1USP2TSHRGAA
SCHEMBL3378457 0.67 LMNA (0.51) ALDH1A1NPSR1KDM4EL3MBTL1USP2
SCHEMBL3378452 0.67 LMNA (0.51) ALDH1A1NPSR1KDM4EL3MBTL1USP2
SCHEMBL31146483 0.66 LMNA (0.43) ALDH1A1NPSR1KDM4EL3MBTL1LMNA

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
WO-2010017405-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN HELLER ADAM (US) 2010-02-11 WO claimed