SCHEMBL9756728

SCHEMBL9756728

NNC(=O)c1cc(S(=O)(=O)O)cc(OCc2ccccc2)c1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 2/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
NPC1 O15118 2/20 0.42
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
STAT3 P40763 1/20 0.42
STAT1 P42224 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HPGD P15428 1/20 0.40

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
SCHEMBL9756730 0.87 FOLH1 (0.49) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL9756722 0.85 LMNA (0.52) SGMS2ALDH1A1MAPTGAASMN1; SMN2
SCHEMBL22568217 0.77 NPC1 (0.56) SGMS2ALDH1A1MAPTNPC1GAA
SCHEMBL16015328 0.76 MAPT (0.57) ALDH1A1MAPTNPC1GAASMN1; SMN2
SCHEMBL22441038 0.75 MAPT (0.55) SGMS2ALDH1A1MAPTNPC1GAA
SCHEMBL6748166 0.74 SGMS2 (0.72) SGMS2ALDH1A1MAPTNPC1GAA
SCHEMBL22568219 0.72 MCL1 (0.57) SGMS2ALDH1A1MAPTNPC1GAA
SCHEMBL2743027 0.72 ATM (0.51) ALDH1A1MAPTGAASMN1; SMN2LMNA
SCHEMBL23067188 0.72 HDAC6 (0.51) SGMS2ALDH1A1MAPTNPC1GAA
SCHEMBL29557588 0.72 HDAC6 (0.51) SGMS2ALDH1A1MAPTNPC1GAA

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