SCHEMBL4565216

SCHEMBL4565216

CCOC(=O)c1sc(N2CCN(Cc3ccc(C(F)(F)F)cc3)C2=O)nc1CC

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCD O00767 10/20 0.53
HDAC1 Q13547 2/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
HSP90AA1 P07900 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
DHODH Q02127 1/20 0.41
ALDH1A1 P00352 2/20 0.40
ADORA1 P30542 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
SCHEMBL243034 0.92 SCD (0.61) SCDHDAC1MEN1KMT2AKDM4E
SCHEMBL245994 0.83 SCD (0.64) SCDHDAC1MEN1KMT2AKDM4E
SCHEMBL244306 0.82 SCD (0.65) SCDHDAC1ALDH1A1
SCHEMBL242149 0.82 SCD (0.65) SCDHDAC1ALDH1A1
SCHEMBL245153 0.81 SCD (0.60) SCDHDAC1MEN1KMT2AKDM4E
SCHEMBL243673 0.81 SCD (0.53) SCDMEN1KMT2AMAPTALDH1A1
SCHEMBL244209 0.81 SCD (0.76) SCDMEN1KMT2AKDM4EMAPT
SCHEMBL347630 0.81 SCD (0.79) SCDHDAC1ALDH1A1
SCHEMBL246376 0.80 HDAC1 (0.48) SCDHDAC1MEN1KMT2AKDM4E
SCHEMBL241971 0.80 SCD (0.66) SCDHDAC1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2054408-A2 HETEROCYCLIC COMPOUNDS SUITABLE FOR THE TREATMENT OF DISEASES RELATED TO ELEVATED LIPID LEVEL Novartis Ag (CH) 2009-05-06 EP disclosed
WO-2008127349-A2 HETEROCYCLIC COMPOUNDS SUITABLE FOR THE TREATMENT OF DISEASES RELATED TO ELEVATED LIPID LEVEL NOVARTIS AG (CH) 2008-10-23 WO disclosed