SCHEMBL10494875

SCHEMBL10494875

CNC(=O)CCCSc1ccc(Cl)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.66
HDAC4 P56524 2/20 0.66
HDAC1 Q13547 2/20 0.66
HDAC7 Q8WUI4 2/20 0.66
HDAC2 Q92769 2/20 0.66
HDAC10 Q969S8 2/20 0.66
HDAC11 Q96DB2 2/20 0.66
HDAC8 Q9BY41 2/20 0.66
HDAC6 Q9UBN7 2/20 0.66
HDAC9 Q9UKV0 2/20 0.66
HDAC5 Q9UQL6 2/20 0.66
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
RAB9A P51151 1/20 0.62
TEAD1 P28347 1/20 0.54
YAP1 P46937 1/20 0.54
TEAD4 Q15561 1/20 0.54
TEAD2 Q15562 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.51
SDCBP O00560 1/20 0.51

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
SCHEMBL11620143 0.85 HDAC3 (0.88) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20545193 0.83 ALDH1A1 (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12470682 0.81 HDAC3 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL414617 0.80 ALDH1A1 (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL660739 0.80 PKM (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3209879 0.79 HDAC1 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11308257 0.79 HDAC1 (0.71) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6390497 0.77 HDAC1 (0.89) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7077884 0.77 HDAC3 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11662096 0.77 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2

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
US-4876247-A ANTIINFLAMMATORY AGENTS SANOFI (FR) 1989-10-24 US disclosed