SCHEMBL9848447

SCHEMBL9848447

CCCCCCCNC(CNC(=O)Nc1ccc(F)cc1F)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.54
ULK1 O75385 1/20 0.49
PKM P14618 2/20 0.48
EPHX2 P34913 1/20 0.47
NPC1 O15118 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RECQL P46063 1/20 0.45

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
SCHEMBL4129794 0.81 EPHX2 (0.69) RAB9APKMEPHX2HTT
SCHEMBL27265696 0.81 EPHX2 (0.69) RAB9APKMEPHX2HTT
SCHEMBL9848520 0.76
SCHEMBL9848401 0.76
SCHEMBL9848414 0.76
SCHEMBL9848453 0.76
SCHEMBL9848454 0.74
SCHEMBL11432520 0.73 PKM (0.62) RAB9APKMEPHX2NPC1HTT
SCHEMBL8777922 0.72 EPHX2 (0.66) RAB9AEPHX2HTT
SCHEMBL4127306 0.71 EPHX2 (0.68) RAB9AEPHX2NPC1HTTSMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0432442-A1 ACAT inhibitors WARNER-LAMBERT COMPANY (US) 1991-06-19 EP claimed