SCHEMBL7963151

SCHEMBL7963151

CCOC(=O)c1c[nH]nc1NC(C)=NOS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 3/20 0.42
KDM4E B2RXH2 2/20 0.40
TSHR P16473 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 4/20 0.38
CA9 Q16790 3/20 0.38
CA2 P00918 1/20 0.38
ACR P10323 1/20 0.38
TP53 P04637 4/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CA12 O43570 1/20 0.36
HSD17B10 Q99714 2/20 0.36
RECQL P46063 1/20 0.36
STAT3 P40763 1/20 0.35
THRB P10828 1/20 0.34

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
SCHEMBL7963149 1.00 GAA (0.43) GAAKMT2ALMNAKDM4ETSHR
SCHEMBL8555854 0.78 KMT2A (0.52) GAAKMT2ALMNAKDM4ETSHR
SCHEMBL7420973 0.77 ALDH1A1 (0.41) GAAKMT2ALMNAKDM4ETSHR
SCHEMBL7966204 0.77 ALDH1A1 (0.41) GAAKMT2ALMNAKDM4ETSHR
SCHEMBL17785271 0.74 GLA (0.47) GAAKMT2ALMNAKDM4ETSHR
SCHEMBL12334874 0.70 KMT2A (0.43) GAAKMT2ALMNAKDM4ETSHR
SCHEMBL16906381 0.70 KMT2A (0.43) GAAKMT2ALMNAKDM4ETSHR
SCHEMBL15295080 0.70 KMT2A (0.40) GAAKMT2ALMNAL3MBTL1ALDH1A1
SCHEMBL6320216 0.69 ALDH1A1 (0.44) KMT2ALMNAKDM4ETSHRL3MBTL1
SCHEMBL13871639 0.69 KMT2A (0.46) KMT2ALMNAKDM4ETSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6316482-B1 FOR THERAPY AND PROPHYLAXIS OF HYPERTENSION, HEART FAILURE, RENAL INSUFFICIENCY, EDEMA, ASCITES, VASOPRESSIN PARASECRETION SYNDROME, HEPATOCIRRHOSIS, HYPONATREMIA, HYPOKALEMIA, DIABETIC, CIRCULATION DISORDER, CEREBROVASCULAR DISEASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-13 US disclosed
US-6207693-B1 Benzamide derivatives having a vasopressin antagonistic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed