SCHEMBL7486165

SCHEMBL7486165

COC(=O)c1cccc(N(C)C(C)=O)c1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 3/20 0.44
HPGD P15428 2/20 0.40
POLB P06746 1/20 0.40
TSPO P30536 3/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RAB9A P51151 1/20 0.38
CFTR P13569 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL30615131 0.87 KMT2A (0.50) KMT2ASMN1; SMN2ALDH1A1MEN1HPGD
SCHEMBL29091576 0.87 KMT2A (0.50) KMT2ASMN1; SMN2ALDH1A1MEN1HPGD
SCHEMBL7477938 0.85 TSHR (0.47) KMT2ASMN1; SMN2ALDH1A1MEN1TSPO
SCHEMBL7478174 0.83 TSPO (0.42) KMT2ASMN1; SMN2ALDH1A1MEN1HPGD
SCHEMBL8421994 0.82 ALDH1A1 (0.55) KMT2ASMN1; SMN2ALDH1A1MEN1HPGD
SCHEMBL6504817 0.81 FSCN1 (0.39) KMT2ASMN1; SMN2ALDH1A1MEN1POLB
SCHEMBL16957915 0.79 ALDH1A1 (0.50) KMT2ASMN1; SMN2ALDH1A1MEN1HPGD
SCHEMBL6551228 0.77 TSHR (0.56) KMT2ASMN1; SMN2ALDH1A1MEN1HPGD
SCHEMBL1032670 0.76 ALDH1A1 (0.68) KMT2ASMN1; SMN2ALDH1A1MEN1HPGD
SCHEMBL2521491 0.76 HPGD (0.52) KMT2ASMN1; SMN2ALDH1A1MEN1HPGD

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