SCHEMBL9756775

SCHEMBL9756775

CNN(C)C(=O)c1cc(O)c(O)c(S(=O)(=O)O)c1.[KH].[KH]

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.34
TDP1 Q9NUW8 4/20 0.34
KDM4E B2RXH2 3/20 0.34
POLB P06746 2/20 0.34
GAA P10253 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
FUT7 Q11130 2/20 0.34
NFKB1 P19838 1/20 0.34
XDH P47989 1/20 0.34
GFER P55789 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
ALDH1A1 P00352 4/20 0.33
HSD17B10 Q99714 3/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
MAPT P10636 3/20 0.32
KMT2A Q03164 1/20 0.32
CASR P41180 1/20 0.32
HPGD P15428 2/20 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
SCHEMBL9756793 0.98 LMNA (0.35) LMNATDP1KDM4EPOLBGAA
Potassium Ion SCHEMBL9756777 0.84 KDM4E (0.33) LMNATDP1KDM4EPOLBGAA
SCHEMBL9756765 0.76 LMNA (0.40) LMNATDP1KDM4EPOLBGAA
SCHEMBL9756892 0.74 LMNA (0.41) LMNATDP1KDM4EPOLBGAA
SCHEMBL1224944 0.72 ALDH1A1 (0.61) LMNATDP1KDM4EPOLBGAA
SCHEMBL9756720 0.70 ALDH1A1 (0.67) LMNATDP1KDM4EPOLBGAA
SCHEMBL3222677 0.64 ING2 (0.47) LMNATDP1KDM4EGAAL3MBTL1
SCHEMBL12556807 0.64 SELL (0.54) LMNATDP1KDM4EPOLBGAA
SCHEMBL2119014 0.64 KDM4E (0.52) LMNATDP1KDM4EPOLBGAA
SCHEMBL669532 0.64 NSD2 (0.44) LMNATDP1POLBGAAL3MBTL1

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
US-5077432-A Monobactam hydrazides containing catechol sulfonic acid groups E. R. SQUIBB & SONS, INC. (US) 1991-12-31 US disclosed
EP-0438752-A1 Monobactam hydrazides containing catechol sulfonic acid groups E.R. SQUIBB & SONS, INC. (US) 1991-07-31 EP disclosed
US-5030724-A Monobactam hydrazides containing catechol sulfonic acid groups E. R. SQUIBB & SONS, INC. (US) 1991-07-09 US disclosed