SCHEMBL7419832

SCHEMBL7419832

COc1cc(C(=O)N(C)c2ccccc2N2CCN(C)CC2)ccc1NC(=O)c1cccc([N+](=O)[O-])c1NC(=O)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 9/20 0.43
ALDH1A1 P00352 7/20 0.42
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPK1 P28482 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
USP2 O75604 1/20 0.40
BRPF1 P55201 1/20 0.40
HTT P42858 1/20 0.39
CYP2D6 P10635 1/20 0.39
SIRT6 Q8N6T7 1/20 0.38

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
SCHEMBL7426296 0.94 MAPT (0.49) ALDH1A1MAPTSMN1; SMN2GAANPSR1
SCHEMBL7417316 0.93 ALDH1A1 (0.51) ALDH1A1MAPTSMN1; SMN2NPSR1MAPK1
SCHEMBL7975847 0.87 ALDH1A1 (0.47) WDR5ALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL7967293 0.81 KCNMA1 (0.38) ALDH1A1MAPTGAANPSR1MEN1
SCHEMBL7423123 0.81 ALDH1A1 (0.55) ALDH1A1MAPTSMN1; SMN2GAANPSR1
SCHEMBL7966842 0.80 AVPR2 (0.38) WDR5ALDH1A1MAPT
SCHEMBL7419827 0.80 DRD2 (0.36) WDR5ALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL7534271 0.80 ALDH1A1 (0.57) ALDH1A1MAPTSMN1; SMN2NPSR1MAPK1
SCHEMBL7421765 0.79 MAPT (0.34) WDR5ALDH1A1MAPTMAPK1MEN1
SCHEMBL7422011 0.79 SIRT6 (0.54) WDR5ALDH1A1MAPTSMN1; SMN2GAA

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