SCHEMBL4055945

SCHEMBL4055945

CCSNCCCCC(NC(=O)O)c1nc2cccc(Cl)c2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
FPR1 P21462 7/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
LMNA P02545 3/20 0.36
TSHR P16473 1/20 0.36
HPGD P15428 1/20 0.35
PADI2 Q9Y2J8 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL4048617 0.77 KDM4E (0.43) ALDH1A1LMNAHPGDSMN1; SMN2MAPT
SCHEMBL4048438 0.73 HDAC1 (0.52) FPR1HDAC3HDAC4HDAC1HDAC2
SCHEMBL4047704 0.72 HDAC1 (0.35) ALDH1A1HDAC3HDAC4HDAC1HDAC2
SCHEMBL3952192 0.72 ALDH1A1 (0.42) ALDH1A1FPR1HDAC3HDAC4HDAC1
SCHEMBL4049127 0.71 HDAC1 (0.34) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL4048387 0.70 MAPT (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4048878 0.69 HDAC1 (0.33) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL4048868 0.69 ADORA3 (0.41) ALDH1A1HDAC1HDAC6TSHRHPGD
SCHEMBL4056394 0.69 POLB (0.33)
SCHEMBL3959226 0.65 ALDH1A1 (0.56) ALDH1A1FPR1HDAC3HDAC4HDAC1

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-2009026701-A1 SIRTUIN INHIBITORS METHYLGENE INC. (CA) 2009-03-05 WO disclosed