SCHEMBL6984247

SCHEMBL6984247

COc1cccc(CN(Cc2cnc(Cc3ccc(C#N)cc3)[nH]2)c2ccc(N3CCN(C(=O)c4cccs4)CC3)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.42
MAPT P10636 3/20 0.42
LMNA P02545 1/20 0.42
VNN1 O95497 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPKAPK2 P49137 1/20 0.39
KDM4E B2RXH2 1/20 0.38
RXFP1 Q9HBX9 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
SCHEMBL6983349 0.88 GAA (0.49) KCNA5MAPTLMNAALDH1A1KDM4E
SCHEMBL6981309 0.86 MAPT (0.42) KCNA5MAPTLMNAALDH1A1KDM4E
SCHEMBL6708713 0.82 FNTA (0.47)
SCHEMBL6985630 0.81 MAPT (0.39) MAPTMAPKAPK2
SCHEMBL6714998 0.74 MAPKAPK2 (0.46) MAPKAPK2
SCHEMBL6708503 0.73 FNTA (0.48)
SCHEMBL6709665 0.72 FNTA (0.49)
SCHEMBL7086117 0.71 FNTA (0.45)
SCHEMBL7258832 0.71 MAPKAPK2 (0.41) MAPKAPK2
SCHEMBL6711073 0.70 FNTA (0.50)

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