SCHEMBL6983349

SCHEMBL6983349

N#Cc1ccc(Cc2ncc(CN(Cc3ccc(F)cc3)c3ccc(N4CCN(C(=O)c5cccs5)CC4)cc3)[nH]2)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
KCNA5 P22460 3/20 0.41
MAPT P10636 5/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
ALOX12 P18054 1/20 0.40
KDM1A O60341 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PARP1 P09874 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL6981309 0.88 MAPT (0.42) GAAKCNA5MAPTLMNAALDH1A1
SCHEMBL6984247 0.88 KCNA5 (0.42) KCNA5MAPTLMNAALDH1A1KDM4E
SCHEMBL6711047 0.81 GAA (0.50) GAAKCNA5
SCHEMBL6985630 0.80 MAPT (0.39) MAPTKDM1APARP1
SCHEMBL6714998 0.77 MAPKAPK2 (0.46)
SCHEMBL6709665 0.75 FNTA (0.49) GAA
SCHEMBL7258832 0.73 MAPKAPK2 (0.41) KDM1A
SCHEMBL6711224 0.72 FNTA (0.46) GAAKCNA5MAPTLMNAALDH1A1
SCHEMBL6711073 0.72 FNTA (0.50)
SCHEMBL15256975 0.70 GAA (1.00) GAAKCNA5MAPTLMNAALDH1A1

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