SCHEMBL6986017

SCHEMBL6986017

N#Cc1ccc(Cn2cncc2CN(C#N)S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.56
CYP11B2 P19099 3/20 0.56
FNTA P49354 8/20 0.53
FNTB P49356 8/20 0.53
PGGT1B P53609 5/20 0.53
KCNH2 Q12809 2/20 0.49

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
SCHEMBL6988442 0.79 CYP11B1 (0.56) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL6711134 0.78 POLB (0.50) FNTAFNTBPGGT1BKCNH2
SCHEMBL6986083 0.77 CYP11B1 (0.57) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL6754946 0.75 POLB (0.44) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7834672 0.73 FNTA (0.66) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL5891899 0.73 CYP11B1 (0.68) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7083825 0.73 CYP11B1 (0.76) CYP11B1CYP11B2FNTAFNTB
SCHEMBL2786255 0.73 CYP11B1 (0.71) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL6986013 0.72 CYP11B1 (0.53) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL1949482 0.72 CYP11B1 (1.00) CYP11B1CYP11B2

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
EP-1324999-A1 NOVEL AMINOPHENYL PIPERAZINE OR AMINOPHENYL PIPERIDINE DERIVATIVES INHIBITING PRENYL TRANSFERASE PROTEINS AND METHODS FOR PREPARING SAME PIERRE FABRE MEDICAMENT (FR) 2003-07-09 EP disclosed
WO-2002030927-A1 NOVEL AMINOPHENYL PIPERAZINE OR AMINOPHENYL PIPERIDINE DERIVATIVES INHIBITING PRENYL TRANSFERASE PROTEINS AND METHODS FOR PREPARING SAME PIERRE FABRE MEDICAMENT (FR) 2002-04-18 WO disclosed