SCHEMBL7427909

SCHEMBL7427909

COc1cc(C(=O)N(C)c2ccc(C)cc2OC(C)=O)ccc1NC(=O)c1cccc(N)c1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
AHR P35869 1/20 0.39
RAB9A P51151 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KCNMA1 Q12791 1/20 0.39
EPHX1 P07099 2/20 0.39
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
BRD4 O60885 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
SCHEMBL7430509 0.89 MAPT (0.40) TP53GAAMEN1KMT2AALDH1A1
SCHEMBL7428856 0.88 GAA (0.44) TP53GAAMEN1KMT2AALDH1A1
SCHEMBL7475562 0.82 POLB (0.40) TP53GAAMEN1KMT2AALDH1A1
SCHEMBL7425247 0.81 ALDH1A1 (0.43) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL7340419 0.80 TP53 (0.51) TP53GAAMEN1KMT2AALDH1A1
SCHEMBL7345419 0.80 TP53 (0.44) TP53GAAALDH1A1LMNASMN1; SMN2
SCHEMBL7966612 0.80 MAPT (0.42) GAAMEN1KMT2AALDH1A1LMNA
SCHEMBL7479643 0.79 AVPR2 (0.41) MEN1KMT2AALDH1A1HPGDIRAK4
Hydrochloric Acid SCHEMBL7969182 0.78 AVPR2 (0.41) MEN1KMT2AALDH1A1HPGDIRAK4
SCHEMBL7424257 0.78 KCNMA1 (0.46) GAAMEN1KMT2AALDH1A1LMNA

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