SCHEMBL7864668

SCHEMBL7864668

NNC(=O)N=CNc1cccc(S(=O)(=O)Nc2cccc(C(CC(=O)O)c3ccccc3)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
HTR6 P50406 6/20 0.40
POLB P06746 2/20 0.39
PFKFB3 Q16875 1/20 0.39
HDAC2 Q92769 3/20 0.38
HDAC8 Q9BY41 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
ITGB3 P05106 1/20 0.38
ITGAV P06756 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38
MAPT P10636 2/20 0.38

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
SCHEMBL7866912 0.83 SMN1; SMN2 (0.41) GAAPFKFB3HDAC2HDAC8HDAC6
SCHEMBL7863291 0.81 ITGB3 (0.45) HTR6POLBPFKFB3HDAC2HDAC8
SCHEMBL7862046 0.81 ITGB3 (0.45) HTR6POLBPFKFB3ITGB3ITGAV
SCHEMBL7861775 0.81 EEF2K (0.43) GAAHTR6POLBPFKFB3HDAC2
SCHEMBL7864234 0.81 PGR (0.41) HTR6POLBPFKFB3ITGB3ITGAV
SCHEMBL7856530 0.81 CA1 (0.54) HTR6POLBPFKFB3HDAC2HDAC8
SCHEMBL7864756 0.80 CA1 (0.38) GAAHTR6PFKFB3HDAC2HDAC8
SCHEMBL7863261 0.79 ITGB3 (0.43) HTR6POLBPFKFB3ITGB3ITGAV
SCHEMBL7863268 0.79 ITGB3 (0.43) HTR6POLBPFKFB3ITGB3ITGAV
SCHEMBL7864664 0.78 GBA1 (0.39) GAAHTR6PFKFB3ITGB3ITGAV

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-0889877-B1 META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS SEARLE & CO (US) 2001-08-29 EP disclosed