SCHEMBL7966544

SCHEMBL7966544

COc1cc(C(=O)N(C)c2ccc(C)cc2OCc2ccccc2)ccc1NC(=O)c1cccc2[nH]c(CNC(=O)OC(C)(C)C)nc12

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.37
PTGES O14684 7/20 0.36
TSHR P16473 1/20 0.36
MAPK10 P53779 1/20 0.36
HDAC1 Q13547 1/20 0.35
PARP1 P09874 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
CACNA1H O95180 1/20 0.34
CACNA1B Q00975 1/20 0.34
CACNA1C Q13936 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL7966353 0.93 TSHR (0.38) BRD4PTGESTSHRMAPK10PARP1
SCHEMBL7969777 0.90 JAK2 (0.39) BRD4PARP1
SCHEMBL7482373 0.90 BRD4 (0.34) BRD4PTGESTSHRMAPK10HDAC1
SCHEMBL7585746 0.90 PTGES (0.40) BRD4PTGESTSHRMAPK10PARP1
SCHEMBL7964884 0.90 BRD4 (0.35) BRD4PTGESTSHRMAPK10PARP1
SCHEMBL7607734 0.89 BRD4 (0.35) BRD4PTGESTSHRMAPK10PARP1
SCHEMBL7483103 0.89 BRD4 (0.36) BRD4PTGESTSHRMAPK10HDAC1
SCHEMBL7476090 0.88 BRD4 (0.41) BRD4PTGESTP53GAA
SCHEMBL7965806 0.88 BRD4 (0.34) BRD4PTGESTSHRMAPK10HDAC1
SCHEMBL7479422 0.88 BRD4 (0.35) BRD4PTGESTSHRMAPK10HDAC1

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 2 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