SCHEMBL2470040

SCHEMBL2470040

CC(CNC(=O)c1cccc2ccccc12)Cc1ccc(C(=O)NO)cc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 8/20 0.70
HDAC1 Q13547 8/20 0.70
HDAC2 Q92769 5/20 0.70
HDAC8 Q9BY41 4/20 0.70
HDAC4 P56524 3/20 0.70
HDAC3 O15379 2/20 0.70
HDAC7 Q8WUI4 2/20 0.70
HDAC10 Q969S8 2/20 0.70
HDAC11 Q96DB2 2/20 0.70
HDAC9 Q9UKV0 2/20 0.70
HDAC5 Q9UQL6 2/20 0.70
MMP3 P08254 1/20 0.52
PLK1 P53350 1/20 0.45
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43

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
SCHEMBL13044618 0.79 PLK1 (0.55) HDAC6HDAC1HDAC2HDAC8HDAC4
SCHEMBL16866255 0.77 PLK1 (0.60) HDAC6HDAC1HDAC2HDAC8HDAC4
SCHEMBL2406942 0.76 HDAC1 (0.56) HDAC6HDAC1HDAC2HDAC8HDAC4
SCHEMBL2408211 0.76 EPHX2 (0.48) HDAC6HDAC1HDAC2HDAC8HDAC4
SCHEMBL2410507 0.76 HDAC6 (0.44) HDAC6HDAC1HDAC2HDAC8HDAC4
SCHEMBL32681135 0.74 PRMT5 (0.55) HDAC6HDAC1HDAC2HDAC8HDAC4
SCHEMBL2408145 0.73 HDAC6 (0.59) HDAC6HDAC1HDAC2HDAC8HDAC4
SCHEMBL2736629 0.72 KMT2A (0.56) ALDH1A1HPGDSMN1; SMN2
SCHEMBL2408316 0.72 HDAC1 (0.65) HDAC6HDAC1HDAC2HDAC8HDAC4
SCHEMBL7872561 0.72 HDAC8 (1.00) HDAC6HDAC1HDAC2HDAC8HDAC4

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
WO-2011106632-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 WO disclosed