SCHEMBL5085616

SCHEMBL5085616

C[Si](C)(CNC(=O)CCS)c1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
ATM Q13315 1/20 0.35
RAB9A P51151 2/20 0.34
PLAAT3 P53816 1/20 0.34
PLAAT5 Q96KN8 1/20 0.34
PLAAT2 Q9NWW9 1/20 0.34
PLAAT4 Q9UL19 1/20 0.34
NPC1 O15118 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 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
SCHEMBL5090684 0.87 ALDH1A1 (0.39) HPGDALDH1A1KMT2AATMCA1
SCHEMBL5090836 0.85 LMNA (0.41) HPGDKMT2ACA1CA2CA9
SCHEMBL5097544 0.72 HPGD (0.46) HPGDCA1CA2CA9HDAC3
SCHEMBL5139867 0.71 HDAC3 (0.50) HPGDCA1CA2CA9HDAC3
SCHEMBL7320160 0.68 ALDH1A1 (0.64) HPGDALDH1A1MEN1KMT2ARAB9A
SCHEMBL5138320 0.65 FAAH (0.34) CA1CA2CA9HDAC3HDAC4
SCHEMBL5087320 0.64 FAAH (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5134813 0.63 HDAC3 (0.42) ALDH1A1MEN1KMT2ACA1CA2
SCHEMBL5138168 0.62 FAAH (0.44)
SCHEMBL8983871 0.62 LMNA (0.40) HPGDALDH1A1MEN1KMT2A

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