SCHEMBL9756720

SCHEMBL9756720

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.67
KDM4E B2RXH2 4/20 0.67
TDP1 Q9NUW8 3/20 0.67
BLM P54132 2/20 0.67
GAA P10253 2/20 0.67
LMNA P02545 2/20 0.67
MAPT P10636 2/20 0.67
NSD2 O96028 1/20 0.67
ALPL P05186 1/20 0.67
POLB P06746 1/20 0.67
ALPI P09923 1/20 0.67
ALPG P10696 1/20 0.67
APEX1 P27695 1/20 0.67
HTT P42858 1/20 0.67
RECQL P46063 1/20 0.67
CASP6 P55212 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA9 Q16790 3/20 0.43

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
SCHEMBL1304499 0.81 KDM4E (1.00) ALDH1A1KDM4ETDP1BLMGAA
SCHEMBL9756892 0.80 LMNA (0.41) ALDH1A1KDM4ETDP1BLMGAA
SCHEMBL9756765 0.79 LMNA (0.40) ALDH1A1KDM4ETDP1BLMGAA
SCHEMBL1224944 0.78 ALDH1A1 (0.61) ALDH1A1KDM4ETDP1GAALMNA
SCHEMBL29556878 0.73 KDM4E (0.74) ALDH1A1KDM4ETDP1BLMGAA
SCHEMBL9141827 0.73 KDM4E (0.74) ALDH1A1KDM4ETDP1BLMGAA
SCHEMBL21638085 0.72 LCK (0.57) ALDH1A1KDM4ETDP1BLMGAA
SCHEMBL31136177 0.72 LCK (0.57) ALDH1A1KDM4ETDP1BLMGAA
SCHEMBL9756793 0.71 LMNA (0.35) ALDH1A1KDM4ETDP1BLMGAA
SCHEMBL9756775 0.70 LMNA (0.34) ALDH1A1KDM4ETDP1BLMGAA

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 4 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 claimed
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