SCHEMBL2408145

SCHEMBL2408145

CC(CNC(=O)c1csc(-c2ccccc2)n1)Cc1ccc(C(=O)NO)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.59
HDAC1 Q13547 4/20 0.59
HDAC8 Q9BY41 3/20 0.59
HPGD P15428 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
HPGDS O60760 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
MAPT P10636 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47

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
SCHEMBL2408144 0.77 HDAC1 (0.62) HDAC6HDAC1HDAC8HPGDCYP1A2
SCHEMBL2410440 0.76 HDAC1 (0.47) HDAC6HDAC1HDAC8HPGDCYP1A2
SCHEMBL2410507 0.76 HDAC6 (0.44) HDAC6HDAC1HDAC8HPGDSMAPT
SCHEMBL12789158 0.74 HPGD (0.69) HDAC6HDAC1HDAC8HPGDCYP1A2
SCHEMBL14662082 0.73 HPGDS (0.63) HDAC6HDAC1HDAC8HPGDCYP1A2
SCHEMBL2470040 0.73 HDAC6 (0.70) HDAC6HDAC1HDAC8HPGDSMN1; SMN2
SCHEMBL2406942 0.72 HDAC1 (0.56) HDAC6HDAC1HDAC8RAB9AHDAC3
SCHEMBL2408211 0.72 EPHX2 (0.48) HDAC6HDAC1HDAC8SMN1; SMN2HDAC3
SCHEMBL3436271 0.72 HPGD (0.66) HDAC6HDAC1HDAC8HPGDCYP1A2
SCHEMBL12790089 0.72 HPGD (0.69) HDAC6HDAC1HDAC8HPGDCYP1A2

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