SCHEMBL6983035

SCHEMBL6983035

N#Cc1ccc(Cc2ncc(CNc3ccc(N4CCN(C(=O)c5ccc(Cl)s5)CC4)cc3)[nH]2)cc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
PANK3 Q9H999 2/20 0.39
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 2/20 0.38
ALOX15 P16050 2/20 0.38
ALOX12 P18054 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
ALDH1A1 P00352 1/20 0.37
NAMPT P43490 2/20 0.37

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
SCHEMBL7259726 0.82 MKNK1 (0.40)
SCHEMBL6708779 0.80 FNTA (0.51) FNTAFNTB
SCHEMBL6985630 0.80 MAPT (0.39) MAPTFNTAFNTB
SCHEMBL6709607 0.76 MAPT (0.54) MAPTKDM4ELMNAGAAALOX15
SCHEMBL6711144 0.76 FNTA (0.46) FNTAFNTB
SCHEMBL6601124 0.75 CCNC (0.39)
SCHEMBL6710804 0.74 FNTA (0.47) FNTAFNTB
SCHEMBL7260652 0.73 UTS2R (0.39)
SCHEMBL6708777 0.73 FNTA (0.57) MAPTPANK3FNTAFNTBNAMPT
SCHEMBL7259705 0.73 NPC1 (0.41) MAPTLMNASMN1; SMN2ALDH1A1

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