SCHEMBL7967095

SCHEMBL7967095

COc1cc(C(=O)N(C)c2ccc(C)cc2OCc2ccccc2)ccc1NC(=O)c1cccc2c1nc(C(=O)OC(C)(C)C)n2CN

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.37
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
KDM4E B2RXH2 1/20 0.33
LRRK2 Q5S007 1/20 0.33
CYP19A1 P11511 1/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR7 Q9NYK1 1/20 0.33

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
SCHEMBL7969774 0.91 MAP3K7 (0.38) TLR9TLR7
SCHEMBL7966770 0.90 IRAK4 (0.34) TP53GAAMEN1KMT2AIRAK4
SCHEMBL7967359 0.85 AVPR2 (0.35) IRAK4
SCHEMBL7966544 0.80 BRD4 (0.37) BRD4TP53GAA
SCHEMBL7484853 0.80 BRD4 (0.37) BRD4TP53GAAMEN1KMT2A
SCHEMBL7476090 0.79 BRD4 (0.41) BRD4TP53GAAMEN1KMT2A
SCHEMBL7341146 0.78 BRD4 (0.49) BRD4TP53GAAMEN1KMT2A
SCHEMBL7344138 0.77 GAA (0.42) BRD4TP53GAA
SCHEMBL7340419 0.76 TP53 (0.51) BRD4TP53GAAMEN1KMT2A
SCHEMBL7345937 0.76 PDE4A (0.43) BRD4TP53GAATLR9TLR7

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 1 patent. 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