SCHEMBL14047397

SCHEMBL14047397

C=C(OC)c1cccc(CN2CCN(c3nc(C)c(C(C)=O)s3)C2=O)c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCD O00767 14/20 0.56
PKM P14618 1/20 0.41
HDAC1 Q13547 2/20 0.39
ROCK2 O75116 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
RECQL P46063 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL242641 0.91 SCD (0.58) SCDPKMROCK2
SCHEMBL242710 0.88 SCD (0.61) SCDROCK2KDM4EALDH1A1CYP3A4
SCHEMBL245005 0.87 SCD (0.60) SCDHDAC1
SCHEMBL4565193 0.81 SCD (0.49) SCDPKMHDAC1ROCK2
SCHEMBL241054 0.81 SCD (0.61) SCDHDAC1
SCHEMBL348495 0.80 SCD (0.56) SCD
SCHEMBL242539 0.79 SCD (0.78) SCD
SCHEMBL241977 0.78 SCD (0.64) SCDHDAC1
SCHEMBL246305 0.78 SCD (0.82) SCD
SCHEMBL240479 0.77 SCD (0.62) SCDHDAC1

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
WO-2008127349-A2 HETEROCYCLIC COMPOUNDS SUITABLE FOR THE TREATMENT OF DISEASES RELATED TO ELEVATED LIPID LEVEL NOVARTIS AG (CH) 2008-10-23 WO disclosed