SCHEMBL7428856

SCHEMBL7428856

COC(=O)c1cc(C)ccc1N(C)C(=O)c1ccc(NC(=O)c2cccc(N)c2N)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.44
TP53 P04637 1/20 0.44
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 4/20 0.42
HPGD P15428 2/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
AHR P35869 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
KCNMA1 Q12791 1/20 0.40
PYGL P06737 1/20 0.39
HTT P42858 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
SCHEMBL7421960 0.88 LMNA (0.45) GAATP53ALDH1A1KDM4EKMT2A
SCHEMBL7427909 0.88 TP53 (0.43) GAATP53ALDH1A1HPGDKMT2A
SCHEMBL7481429 0.81 POLB (0.41) GAATP53ALDH1A1KDM4EHPGD
SCHEMBL7480096 0.81 GAA (0.42) GAATP53ALDH1A1KDM4EHPGD
SCHEMBL7966612 0.81 MAPT (0.42) GAAALDH1A1KDM4EKMT2AMEN1
SCHEMBL7424257 0.79 KCNMA1 (0.46) GAAALDH1A1KDM4EKMT2AMEN1
SCHEMBL7425247 0.79 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL7479643 0.77 AVPR2 (0.41) ALDH1A1HPGDKMT2AMEN1IRAK4
SCHEMBL7430509 0.77 MAPT (0.40) GAATP53ALDH1A1KDM4EKMT2A
Hydrochloric Acid SCHEMBL7969182 0.77 AVPR2 (0.41) ALDH1A1HPGDKMT2AMEN1IRAK4

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