SCHEMBL6692741

SCHEMBL6692741

CC(=O)N1CCC(C(CNC(=O)c2ccc(COc3cccc4ccc(C)nc34)cc2)C2NC(=O)NC2=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.40
HDAC3 O15379 5/20 0.40
HDAC4 P56524 5/20 0.40
HDAC1 Q13547 5/20 0.40
HDAC7 Q8WUI4 5/20 0.40
HDAC2 Q92769 5/20 0.40
HDAC10 Q969S8 5/20 0.40
HDAC11 Q96DB2 5/20 0.40
HDAC8 Q9BY41 5/20 0.40
HDAC9 Q9UKV0 5/20 0.40
HDAC5 Q9UQL6 5/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 3/20 0.38
HPGD P15428 3/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
BDKRB2 P30411 3/20 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
SCHEMBL4048796 0.89 MEN1 (0.41) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL6694703 0.84 P2RX7 (0.37) HDAC6KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL6692739 0.83 MEN1 (0.40) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL6692731 0.80 MEN1 (0.40) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL6700688 0.78 MMP13 (0.42) MEN1KMT2A
SCHEMBL4050732 0.74 RAB9A (0.38) KMT2AALDH1A1MAPTNPC1RAB9A
SCHEMBL6677180 0.69 MMP2 (0.62)
SCHEMBL6681641 0.69 MMP12 (0.60)
SCHEMBL6694701 0.67 CHRM2 (0.39) HDAC6KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL4056795 0.66 MEN1 (0.70) HDAC6HDAC3HDAC4HDAC1HDAC7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1397137-A4 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL MYERS SQUIBB CO (US) 2004-10-13 EP claimed
EP-1397137-A1 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-03-17 EP claimed
WO-2002096426-A1 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-12-05 WO claimed