SCHEMBL14047407

SCHEMBL14047407

Cc1nc(CN2CCN(C3=NC(C)C(C(=O)NCc4ccccc4)S3)C2=O)nn1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 6/20 0.44
▸ LMNA P02545 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ TP53 P04637 3/20 0.36
▸ THRB P10828 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ AADAT Q8N5Z0 2/20 0.35
▸ MAPT P10636 2/20 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
SCHEMBL14047539 0.85 SCD (0.53) SCDKDM4EALDH1A1
SCHEMBL14047581 0.82 ALDH1A1 (0.45) SCDALDH1A1
SCHEMBL14047595 0.81 SCD (0.56) SCDALDH1A1
SCHEMBL14047625 0.81 SCD (0.57) SCDTP53ALDH1A1MAPT
SCHEMBL14047400 0.81 SCD (0.57) SCDTP53ALDH1A1MAPT
SCHEMBL14047531 0.78 SCD (0.41) SCDALDH1A1
SCHEMBL14047603 0.77 SCD (0.57) SCDLMNAKDM4EALDH1A1MAPT
SCHEMBL244276 0.77 SCD (0.75) SCD
SCHEMBL14047582 0.74 ALDH1A1 (0.41) SCDLMNAALDH1A1AADAT
SCHEMBL14047553 0.72 SCD (0.47) SCDTP53ALDH1A1

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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