SCHEMBL9502976

SCHEMBL9502976

CCCCCCCCCCCCCCCCCC(=O)Nc1cc(C(=S)NCCSC)ccc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
CETP P11597 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
GAA P10253 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL9502162 1.00 HDAC3 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9692556 0.95 HDAC3 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9503044 0.89 CETP (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9502223 0.89 CETP (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9505690 0.86 L3MBTL1 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9692530 0.84 CETP (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9502413 0.84 CETP (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9502962 0.84 CETP (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9366033 0.83 PLK1 (0.54) HDAC1HDAC8HDAC6L3MBTL1SMN1; SMN2
SCHEMBL9361707 0.83 PLK1 (0.54) HDAC1HDAC8HDAC6L3MBTL1SMN1; SMN2

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-0543865-A1 BENZAMIDE DERIVATIVES RHONE-POULENC RORER LIMITED (GB) 1993-06-02 EP disclosed
WO-1992003412-A2 BENZAMIDE DERIVATIVES RHONE-POULENC RORER LIMITED (GB) 1992-03-05 WO disclosed