SCHEMBL7420973

SCHEMBL7420973

CCOC(=O)c1c[nH]nc1NC(C)=NO

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.39
KDM4E B2RXH2 4/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 2/20 0.37
NUDT1 P36639 1/20 0.37
HTT P42858 1/20 0.37
POLB P06746 2/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL7966204 1.00 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1ALOX15TSHR
SCHEMBL17785271 0.85 GLA (0.47) ALDH1A1KMT2AMEN1ALOX15TSHR
SCHEMBL6320216 0.80 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1ALOX15TSHR
SCHEMBL13871639 0.79 KMT2A (0.46) ALDH1A1KMT2AMEN1ALOX15TSHR
SCHEMBL2699548 0.78 KDM4E (0.48) ALDH1A1KMT2AMEN1ALOX15TSHR
SCHEMBL8978070 0.77 GAA (0.45) ALDH1A1KMT2AMEN1ALOX15TSHR
SCHEMBL7963149 0.77 GAA (0.43) ALDH1A1KMT2ATSHRKDM4EHSD17B10
SCHEMBL7963151 0.77 GAA (0.43) ALDH1A1KMT2ATSHRKDM4EHSD17B10
Hydrochloric Acid SCHEMBL2702233 0.77 KDM4E (0.47) ALDH1A1KMT2AMEN1ALOX15TSHR
SCHEMBL8694256 0.75 NPC1 (0.53) ALDH1A1KMT2AMEN1TSHRHPGD

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-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
EP-0946519-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-06 EP disclosed
WO-1998024771-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-11 WO disclosed