SCHEMBL9874784

SCHEMBL9874784

CC(C(=O)O)n1c(Br)c(CCNS(=O)(=O)c2ccccc2)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 8/20 0.47
HDAC4 P56524 8/20 0.47
HDAC1 Q13547 8/20 0.47
HDAC7 Q8WUI4 8/20 0.47
HDAC2 Q92769 8/20 0.47
HDAC10 Q969S8 8/20 0.47
HDAC11 Q96DB2 8/20 0.47
HDAC8 Q9BY41 8/20 0.47
HDAC6 Q9UBN7 8/20 0.47
HDAC9 Q9UKV0 8/20 0.47
HDAC5 Q9UQL6 8/20 0.47
CYP19A1 P11511 2/20 0.42
GAA P10253 1/20 0.41
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
KCNA5 P22460 1/20 0.39
KCNH2 Q12809 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL9874752 0.93 TAAR1 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9873570 0.93 KCNA5 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9874573 0.82 CYP19A1 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9874780 0.77 FABP3 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9358770 0.73 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9363311 0.72 KCNA5 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9362961 0.72 HDAC1 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9359152 0.71 PTGDR2 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9873565 0.71 TBXA2R (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10366956 0.70 HDAC3 (0.58) 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-5015657-A Anticoagulants BAYER AKTIENGESELLSCHAFT (DE) 1991-05-14 US claimed