SCHEMBL9756892

SCHEMBL9756892

CNNC(=O)c1cc(O)c(O)c(S(=O)(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.41
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 4/20 0.41
TDP1 Q9NUW8 4/20 0.41
MAPT P10636 4/20 0.41
GAA P10253 3/20 0.41
POLB P06746 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NSD2 O96028 1/20 0.41
ALPL P05186 1/20 0.41
ALPI P09923 1/20 0.41
ALPG P10696 1/20 0.41
APEX1 P27695 1/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
CASP6 P55212 1/20 0.41
TOP1 P11387 3/20 0.39
TOP2A P11388 3/20 0.39
TOP2B Q02880 3/20 0.39

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
SCHEMBL9756765 0.98 LMNA (0.40) LMNAALDH1A1KDM4ETDP1MAPT
Potassium Ion SCHEMBL9756767 0.84 KDM4E (0.39) LMNAALDH1A1KDM4ETDP1MAPT
SCHEMBL9756720 0.80 ALDH1A1 (0.67) LMNAALDH1A1KDM4ETDP1MAPT
SCHEMBL1224944 0.75 ALDH1A1 (0.61) LMNAALDH1A1KDM4ETDP1MAPT
SCHEMBL9756793 0.75 LMNA (0.35) LMNAALDH1A1KDM4ETDP1MAPT
SCHEMBL9756775 0.74 LMNA (0.34) LMNAALDH1A1KDM4ETDP1MAPT
SCHEMBL669532 0.70 NSD2 (0.44) LMNAALDH1A1TDP1GAAPOLB
SCHEMBL23067301 0.68 HDAC6 (0.62) KDM4EMAPTGAAPOLBL3MBTL1
SCHEMBL29557094 0.68 HDAC6 (0.62) KDM4EMAPTGAAPOLBL3MBTL1
SCHEMBL12556807 0.67 SELL (0.54) LMNAALDH1A1KDM4ETDP1MAPT

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