SCHEMBL630176

SCHEMBL630176

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc2ccccc2c1)O[C@H]1CCCCN1S(=O)(=O)Cc1cccc(O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
KDM1A O60341 1/20 0.44
MAOA P21397 1/20 0.44
F2 P00734 7/20 0.42
NMBR P28336 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
MAPT P10636 1/20 0.41
BRS3 P32247 1/20 0.41
CA2 P00918 1/20 0.40

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
SCHEMBL629890 0.80 HDAC2 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1383357 0.80 HDAC2 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL630909 0.74 MMP9 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1382775 0.74 MMP9 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL631494 0.74 F2 (0.48) F2SMN1; SMN2MAPTMMP1MMP2
SCHEMBL631775 0.68 LMNA (0.47) SMN1; SMN2MAPTMMP2MMP3MMP9
SCHEMBL7250939 0.67 HDAC8 (0.63) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8257252 0.67 NMBR (0.71) NMBRSMN1; SMN2MAPTCA2MMP2
SCHEMBL12706375 0.65 NMBR (0.75) NMBRSMN1; SMN2MAPTCA2MMP2
SCHEMBL1385938 0.65 F2 (0.51) F2SMN1; SMN2MAPTMMP1MMP2

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
EP-1778637-B1 FKBP-binding composition and pharmaceutical use thereof AVENTIS PHARMA INC (US) 2012-02-22 EP claimed