SCHEMBL6985630

SCHEMBL6985630

N#Cc1ccc(Cc2ncc(CN(Cc3cccc(O)c3)c3ccc(N4CCN(C(=O)c5ccc(Cl)s5)CC4)cc3)[nH]2)cc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
PARP1 P09874 1/20 0.36
CYP19A1 P11511 1/20 0.35
MAPKAPK2 P49137 2/20 0.34
KDM1A O60341 1/20 0.33
KCNH2 Q12809 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
SCHEMBL6709670 0.83 FNTA (0.50) FNTAFNTB
SCHEMBL6984247 0.81 KCNA5 (0.42) MAPTMAPKAPK2
SCHEMBL6983349 0.80 GAA (0.49) MAPTPARP1KDM1A
SCHEMBL6983035 0.80 MAPT (0.43) MAPTFNTAFNTB
SCHEMBL6981309 0.78 MAPT (0.42) MAPT
SCHEMBL6712750 0.76 FNTA (0.49) FNTAFNTB
SCHEMBL6710981 0.75 FNTA (0.49) MAPTFNTAFNTB
SCHEMBL6714998 0.74 MAPKAPK2 (0.46) MAPKAPK2
SCHEMBL6708503 0.74 FNTA (0.48) FNTAFNTB
SCHEMBL6708845 0.73 FNTA (0.48) FNTAFNTB

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 claimed
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 claimed