SCHEMBL5097544

SCHEMBL5097544

C[Si](C)(CCNC(=O)CCS)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
HDAC6 Q9UBN7 9/20 0.42
LMNA P02545 1/20 0.40
HDAC3 O15379 6/20 0.39
HDAC4 P56524 6/20 0.39
HDAC1 Q13547 6/20 0.39
HDAC7 Q8WUI4 6/20 0.39
HDAC2 Q92769 6/20 0.39
HDAC10 Q969S8 6/20 0.39
HDAC11 Q96DB2 6/20 0.39
HDAC8 Q9BY41 6/20 0.39
HDAC9 Q9UKV0 6/20 0.39
HDAC5 Q9UQL6 6/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
ACKR3 P25106 1/20 0.39
HTT P42858 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37

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
SCHEMBL5090836 0.87 LMNA (0.41) HPGDHDAC6LMNAHDAC3HDAC4
SCHEMBL5090684 0.85 ALDH1A1 (0.39) HPGDHDAC6LMNAHDAC3HDAC4
SCHEMBL5139867 0.85 HDAC3 (0.50) HPGDHDAC6HDAC3HDAC4HDAC1
SCHEMBL5134813 0.76 HDAC3 (0.42) HDAC6LMNAHDAC3HDAC4HDAC1
SCHEMBL4390392 0.73 KDM4E (0.39) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL4390398 0.73 KDM4E (0.39) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL5085616 0.72 HPGD (0.40) HPGDHDAC6HDAC3HDAC4HDAC1
SCHEMBL2007623 0.68 TAAR1 (0.41) TAAR1
SCHEMBL5806467 0.67 HDAC3 (0.62) HDAC6LMNAHDAC3HDAC4HDAC1
SCHEMBL928881 0.65

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-1968609-A2 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF HIGHLY LIPOPHILIC SULFHYDRYL COMPOUNDS RND Pharmaceuticals, Inc. (US) 2008-09-17 EP disclosed
WO-2007073560-A2 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF HIGHLY LIPOPHILIC SULFHYDRYL COMPOUNDS RND PHARMACEUTICALS, INC. (US) 2007-06-28 WO disclosed