SCHEMBL14047532

SCHEMBL14047532

Cc1cnc(CNC(=O)C2SC(N3CCN(Cc4ccc(C(F)(F)F)cc4)C3=O)=NC2C)cn1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.44
▸ SCD O00767 12/20 0.39
▸ KMT2A Q03164 1/20 0.37
▸ SCN9A Q15858 1/20 0.35
▸ P2RX7 Q99572 1/20 0.35
▸ RORC P51449 1/20 0.34

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
SCHEMBL14047579 0.83 HDAC1 (0.50) HDAC1SCD
SCHEMBL14047539 0.79 SCD (0.53) HDAC1SCDKMT2A
SCHEMBL14047421 0.79 SCD (0.59) HDAC1SCDKMT2AP2RX7
SCHEMBL14047603 0.78 SCD (0.57) SCDKMT2A
SCHEMBL14047400 0.78 SCD (0.57) HDAC1SCDKMT2A
SCHEMBL14047625 0.78 SCD (0.57) HDAC1SCDKMT2A
SCHEMBL14047404 0.78 SCD (0.47) HDAC1SCD
SCHEMBL14047595 0.77 SCD (0.56) HDAC1SCD
SCHEMBL244560 0.77 SCD (0.64) HDAC1SCD
SCHEMBL14047409 0.76 SCD (0.47) HDAC1SCD

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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