SCHEMBL11246744

SCHEMBL11246744

O=C(O)c1ccc(-c2ccccc2N=S(=O)=O)[nH]c1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.55
ALDH1A1 P00352 6/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
POLB P06746 2/20 0.36
ALOX15 P16050 1/20 0.35
NAPRT Q6XQN6 2/20 0.35
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
MAPK1 P28482 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SPR P35270 1/20 0.32
PARP1 P09874 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CA12 O43570 1/20 0.32

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
SCHEMBL7276461 0.75 KDM4E (0.63) KDM4EALDH1A1SMN1; SMN2GAARXFP1
SCHEMBL9754384 0.72 KDM4E (0.59) KDM4EALDH1A1SMN1; SMN2GAARXFP1
SCHEMBL4074628 0.72 KDM4E (1.00) KDM4EALDH1A1SMN1; SMN2GAARXFP1
SCHEMBL492025 0.71 ALDH1A1 (0.52) KDM4EALDH1A1SMN1; SMN2GAAPOLB
SCHEMBL11536638 0.70 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2GAARXFP1
Hydrochloric Acid SCHEMBL4180695 0.70 ALDH1A1 (0.50) KDM4EALDH1A1SMN1; SMN2GAAPOLB
SCHEMBL25148779 0.69 KDM4E (0.55) KDM4EALDH1A1SMN1; SMN2GAARXFP1
SCHEMBL4429820 0.69 KDM4E (0.93) KDM4EALDH1A1SMN1; SMN2GAARXFP1
SCHEMBL9754429 0.69 KDM4E (0.58) KDM4EALDH1A1SMN1; SMN2GAARXFP1
SCHEMBL11734390 0.67 KDM4E (0.51) KDM4EALDH1A1SMN1; SMN2GAARXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4315014-A Antibacterial amide compounds and pharmaceutical composition containing the same WARNER-LAMBERT COMPANY (US) 1982-02-09 US disclosed