SCHEMBL6984976

SCHEMBL6984976

N#Cc1ccc(Cn2cncc2CNC(=O)c2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FNTA P49354 11/20 0.57
FNTB P49356 11/20 0.57
CYP11B1 P15538 4/20 0.51
CYP11B2 P19099 4/20 0.51
HTT P42858 1/20 0.51
PGGT1B P53609 7/20 0.51
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
SCHEMBL6986080 0.85 FNTA (0.61) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL6983280 0.84 FNTA (0.60) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL6985657 0.83 CYP11B1 (0.53) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL6980183 0.82 FNTA (0.58) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL6986518 0.81 FNTA (0.55) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL6986520 0.79 CYP11B1 (0.50) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL6986652 0.76 CYP11B1 (0.57) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL6983232 0.75 CYP11B1 (0.58) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL6987960 0.74 CYP11B1 (0.57) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL6984980 0.73 CYP11B1 (0.50) FNTAFNTBCYP11B1CYP11B2PGGT1B

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