SCHEMBL3452805

SCHEMBL3452805

O=S(=O)(O)CCCN(CCCS(=O)(=O)O)c1ccc(C(c2ccc(N(CCCS(=O)(=O)O)CCCS(=O)(=O)O)cc2)c2ccc(N(CCCS(=O)(=O)O)CCCS(=O)(=O)O)cc2)cc1.[NaH].[NaH].[NaH].[NaH].[NaH].[NaH]

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.35
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
HSP90AA1 P07900 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 1/20 0.32
APP P05067 1/20 0.31
EGFR P00533 1/20 0.31
ERBB2 P04626 1/20 0.31
GRK6 P43250 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
SCHEMBL244232 0.98 CNR2 (0.35) CNR2KMT2ALMNATP53ATM
SCHEMBL4936634 0.83 KMT2A (0.39) CNR2KMT2ALMNATP53ATM
SCHEMBL13086215 0.79 CNR2 (0.41) CNR2KMT2AALDH1A1MEN1HSP90AA1
SCHEMBL4443205 0.79 CYP2D6 (0.44) CNR2KMT2ALMNATP53ALDH1A1
SCHEMBL9347243 0.79 LTA4H (0.38) CNR2KMT2ALMNASMN1; SMN2NPSR1
SCHEMBL25082006 0.75 MAPK1 (0.41) KMT2ASMN1; SMN2ALDH1A1MEN1CYP2C9
SCHEMBL16749608 0.75 CYP19A1 (0.43)
SCHEMBL25081942 0.75 MAPK1 (0.41) KMT2ASMN1; SMN2ALDH1A1MEN1CYP2C9
SCHEMBL4434764 0.74 MAPT (0.45) KMT2AATMALDH1A1MEN1L3MBTL1
SCHEMBL9644373 0.74 ALDH1A1 (0.41) CNR2KMT2ALMNASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820404-B2 Protein cleavage method and use thereof ARKRAY, INC. (JP) 2010-10-26 US disclosed
US-20090081718-A1 Protein cleavage method and thereof ARKRAY, INC. (JP) 2009-03-26 US disclosed