SCHEMBL7426352

SCHEMBL7426352

COC(=O)c1ccc(C(=O)Nc2ccccc2N2CCN(C)CC2)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.63
KMT2A Q03164 4/20 0.63
MEN1 O00255 3/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
USP2 O75604 2/20 0.63
POLB P06746 1/20 0.60
WDR5 P61964 3/20 0.59
TSHR P16473 2/20 0.57
ALDH1A1 P00352 6/20 0.56
MAPT P10636 4/20 0.56
GAA P10253 3/20 0.56
NPSR1 Q6W5P4 3/20 0.56
HSD17B10 Q99714 2/20 0.55
GFER P55789 1/20 0.54
KDM4E B2RXH2 1/20 0.53
HPGD P15428 1/20 0.53

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
SCHEMBL7425303 0.90 KMT2A (0.72) MAPK1KMT2AMEN1SMN1; SMN2POLB
SCHEMBL7430971 0.88 ALDH1A1 (0.68) KMT2AMEN1SMN1; SMN2POLBTSHR
SCHEMBL7430844 0.82 ALDH1A1 (0.72) MAPK1KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL7425788 0.82 KDM4E (0.54) MAPK1KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL7430332 0.79 MAPT (0.46) MAPK1KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL17498728 0.76 ALDH1A1 (0.56) MAPK1KMT2AMEN1POLBALDH1A1
SCHEMBL7019383 0.74 PDE4A (0.55) KMT2AMEN1SMN1; SMN2TSHRALDH1A1
SCHEMBL29399346 0.74 WDR5 (1.00) KMT2ASMN1; SMN2WDR5TSHRALDH1A1
SCHEMBL20214096 0.74 WDR5 (1.00) KMT2ASMN1; SMN2WDR5TSHRALDH1A1
SCHEMBL1334225 0.74 SIRT6 (0.61) MAPK1KMT2AMEN1POLBTSHR

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