SCHEMBL9503866

SCHEMBL9503866

CCc1ccc(C(=S)NCCC(C)S)cc1NC(=O)CCCCCl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 12/20 0.38
HDAC1 Q13547 7/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
ALDH1A1 P00352 2/20 0.36
HTT P42858 2/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL9692860 0.84 HDAC3 (0.38) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL9692777 0.80 ALDH1A1 (0.38) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL9502449 0.79 HDAC3 (0.44) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL9506074 0.79 HDAC3 (0.44) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL9692496 0.79 HDAC3 (0.44) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL9502223 0.75 CETP (0.43) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL9503044 0.75 CETP (0.43) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL9502336 0.74 GAA (0.44) HDAC3HDAC1ALDH1A1HTTNPC1
SCHEMBL9502131 0.74 GAA (0.44) HDAC3HDAC1ALDH1A1HTTNPC1
SCHEMBL9692530 0.74 CETP (0.42) HDAC3HDAC1HDAC4HDAC7HDAC2

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
EP-0543865-A1 BENZAMIDE DERIVATIVES RHONE-POULENC RORER LIMITED (GB) 1993-06-02 EP disclosed