SCHEMBL7423726

SCHEMBL7423726

O=[N+]([O-])c1ccccc1C1NC=CO1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
MAPT P10636 4/20 0.42
MEN1 O00255 4/20 0.42
KDM4E B2RXH2 3/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TDP1 Q9NUW8 4/20 0.39
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 2/20 0.39
ABCC4 O15439 1/20 0.39
PLIN1 O60240 1/20 0.39
CACNA1F O60840 1/20 0.39
GMNN O75496 1/20 0.39
KCNK2 O95069 1/20 0.39
ABCB11 O95342 1/20 0.39
GSR P00390 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL9595282 0.78 KMT2A (0.47) KMT2AMAPTMEN1KDM4EGAA
SCHEMBL11451916 0.71 GPR35 (0.50) KMT2AMAPTMEN1KDM4EGAA
SCHEMBL11451918 0.71 GPR35 (0.50) KMT2AMAPTMEN1KDM4EGAA
SCHEMBL7970250 0.70 CYP3A4 (0.33) L3MBTL1ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL11493131 0.70 KMT2A (0.41) KMT2AMAPTMEN1KDM4EGAA
SCHEMBL11007343 0.70 KMT2A (0.44) KMT2AMAPTMEN1KDM4EGAA
SCHEMBL6054586 0.69
SCHEMBL7186078 0.68 KMT2A (0.45) KMT2AMAPTMEN1KDM4EGAA
SCHEMBL10322349 0.68 NR4A1 (0.40) KMT2AMAPTMEN1KDM4EGAA
SCHEMBL10324719 0.68 NR4A1 (0.40) KMT2AMAPTMEN1KDM4EGAA

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