SCHEMBL14047579

SCHEMBL14047579

CC(=O)C1SC(N2CCN(Cc3ccc(C(F)(F)F)cc3)C2=O)=NC1C

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 6/20 0.50
▸ SCD O00767 2/20 0.39
▸ TEAD1 P28347 3/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ DRD2 P14416 2/20 0.36
▸ DRD4 P21917 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ SIRT2 Q8IXJ6 1/20 0.35
▸ SIRT1 Q96EB6 1/20 0.35

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
SCHEMBL14047532 0.83 HDAC1 (0.44) HDAC1SCD
SCHEMBL14047530 0.80 HDAC1 (0.36) HDAC1SCDRAB9A
SCHEMBL14047416 0.76 HDAC1 (0.41) HDAC1SCDKDM4EALDH1A1
SCHEMBL14047539 0.74 SCD (0.53) HDAC1SCDKDM4EALDH1A1
SCHEMBL14047400 0.74 SCD (0.57) HDAC1SCDRAB9AALDH1A1
SCHEMBL14047625 0.74 SCD (0.57) HDAC1SCDRAB9AALDH1A1
SCHEMBL14047399 0.72 CHRM2 (0.41) SCD
SCHEMBL14047595 0.72 SCD (0.56) HDAC1SCDALDH1A1
SCHEMBL244306 0.71 SCD (0.65) HDAC1SCDALDH1A1
SCHEMBL14047421 0.71 SCD (0.59) HDAC1SCDRAB9AALDH1A1

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
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