SCHEMBL7679202

SCHEMBL7679202

N#Cc1ccc(Cn2cncc2CCNC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2C(=O)NC2CCCCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FNTA P49354 16/20 0.48
FNTB P49356 16/20 0.48
PGGT1B P53609 12/20 0.48
PRKAB2 O43741 1/20 0.45
PRKAG1 P54619 1/20 0.45
PRKAA2 P54646 1/20 0.45
PRKAA1 Q13131 1/20 0.45
PRKAG3 Q9UGI9 1/20 0.45
PRKAG2 Q9UGJ0 1/20 0.45
PRKAB1 Q9Y478 1/20 0.45
ALDH1A1 P00352 1/20 0.44
KCNH2 Q12809 1/20 0.42
EPHX2 P34913 1/20 0.42

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
SCHEMBL6180669 0.85 FNTA (0.46) FNTAFNTBPGGT1BKCNH2
SCHEMBL6003187 0.84 FNTA (0.55) FNTAFNTBPGGT1BALDH1A1KCNH2
SCHEMBL8436859 0.84 FNTA (0.55) FNTAFNTBPGGT1BALDH1A1KCNH2
SCHEMBL6179814 0.82 FNTA (0.46) FNTAFNTBPGGT1BKCNH2
SCHEMBL7682279 0.80 FNTA (0.49) FNTAFNTB
SCHEMBL4459587 0.78 FNTA (0.53) FNTAFNTBPGGT1BKCNH2
SCHEMBL7682332 0.77 FNTA (0.47) FNTAFNTBALDH1A1EPHX2
SCHEMBL5298259 0.77 FNTA (0.51) FNTAFNTBPGGT1BALDH1A1KCNH2
SCHEMBL8434426 0.77 FNTA (0.51) FNTAFNTBPGGT1BALDH1A1KCNH2
SCHEMBL7679247 0.76 FNTA (0.50) FNTAFNTBPGGT1BKCNH2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6432959-B1 ANTITUMOR AGENTS SCHERING CORPORATION 2002-08-13 US disclosed
EP-1140909-A1 NOVEL INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE SCHERING CORPORATION (US) 2001-10-10 EP disclosed
WO-2000039119-A1 NOVEL INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE SCHERING CORPORATION (US) 2000-07-06 WO disclosed