SCHEMBL6901658

SCHEMBL6901658

Nc1ccc(SN2CCN(C(=O)NCc3ccccc3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
TPSAB1 Q15661 5/20 0.54
HRH3 Q9Y5N1 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TP53 P04637 1/20 0.51
F2 P00734 1/20 0.49
PRSS1 P07477 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
RECQL P46063 1/20 0.48
SMO Q99835 1/20 0.47

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
SCHEMBL6901826 0.83 KDM4E (0.51) KDM4ETPSAB1HRH3MEN1KMT2A
SCHEMBL6901614 0.81 TGM2 (0.48) KDM4ETPSAB1HRH3MEN1KMT2A
SCHEMBL6901323 0.79 MEN1 (0.54) KDM4EMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL1874105 0.77 PKM (0.73) KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL12685780 0.75 MEN1 (0.85) TPSAB1HRH3MEN1KMT2ANPSR1
SCHEMBL4197501 0.75 KDM4E (0.69) KDM4ETPSAB1HRH3MEN1KMT2A
SCHEMBL5800630 0.75 KDM4E (0.69) KDM4ETPSAB1HRH3MEN1KMT2A
SCHEMBL14479131 0.74 KDM4E (0.73) KDM4ETPSAB1HRH3MEN1KMT2A
SCHEMBL5471150 0.74 MEN1 (0.75) KDM4ETPSAB1HRH3MEN1KMT2A
SCHEMBL6559744 0.73 KDM4E (0.68) KDM4ETPSAB1HRH3MEN1KMT2A

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-2011060321-A1 TRANSGLUTAMINASE TG2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI, INC. (US) 2011-05-19 WO disclosed