SCHEMBL7475607

SCHEMBL7475607

CCOC(=O)c1cccc2[nH]c(-c3ccccn3)nc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 7/20 0.63
HPGD P15428 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
ALDH1A1 P00352 2/20 0.56
TP53 P04637 2/20 0.56
HSD17B10 Q99714 2/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
ALOX15 P16050 1/20 0.56
CYP2C19 P33261 1/20 0.56
PARP1 P09874 2/20 0.56
DHODH Q02127 1/20 0.56
PARP2 Q9UGN5 1/20 0.56
PRKD3 O94806 1/20 0.51
MAP4K4 O95819 1/20 0.51
PIM1 P11309 1/20 0.51
CLK2 P49760 1/20 0.51
MAP4K2 Q12851 1/20 0.51
CAMK2D Q13557 1/20 0.51
DYRK1A Q13627 1/20 0.51

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
SCHEMBL6948231 0.83 PARP1 (0.69) ALOX15PARP1DHODHPRKD3MAP4K4
SCHEMBL11759669 0.82 PARP1 (0.57) CBFBSMN1; SMN2TP53CYP3A4CYP2D6
SCHEMBL7473559 0.81 DHODH (0.64) CBFBHPGDSMN1; SMN2ALDH1A1TP53
SCHEMBL6810422 0.81 PKN1 (0.76) ALOX15PARP1DHODHPARP2PRKD3
SCHEMBL6805503 0.80 PARP1 (0.81) CBFBPARP1DHODHPARP2PRKD3
SCHEMBL28790557 0.79 PARP1 (0.54) SMN1; SMN2ALDH1A1TP53HSD17B10PARP1
SCHEMBL6170661 0.79 PARP1 (0.64) ALDH1A1HSD17B10PARP1DHODHPRKD3
SCHEMBL7480831 0.78 PKN1 (0.67) HPGDALDH1A1CYP3A4CYP2C19PARP1
SCHEMBL124264 0.78 CBFB (1.00) CBFBHPGDSMN1; SMN2ALDH1A1TP53
SCHEMBL14906668 0.77 CBFB (0.54) CBFBHPGDSMN1; SMN2ALDH1A1TP53

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