SCHEMBL3844993

SCHEMBL3844993

Cc1cc(S(=O)(=O)n2ccc(C=CC(=O)Nc3ccccc3N)c2)ccc1-c1ccc(N(C)C)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.62
HDAC2 Q92769 4/20 0.62
HDAC3 O15379 3/20 0.62
HDAC10 Q969S8 2/20 0.62
HDAC11 Q96DB2 2/20 0.62
HDAC9 Q9UKV0 2/20 0.62
KDM1A O60341 1/20 0.62
HDAC6 Q9UBN7 3/20 0.49
HDAC8 Q9BY41 2/20 0.49
ABL1 P00519 1/20 0.49
EGFR P00533 1/20 0.49
ERBB2 P04626 1/20 0.49
INSR P06213 1/20 0.49
PDGFRB P09619 1/20 0.49
CDK2 P24941 1/20 0.49
PLK1 P53350 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49

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
SCHEMBL3844994 0.95 HDAC1 (0.64) HDAC1HDAC2HDAC3HDAC10HDAC11
SCHEMBL296155 0.89 HDAC1 (0.70) HDAC1HDAC2HDAC3HDAC10HDAC11
SCHEMBL296156 0.89 HDAC1 (0.70) HDAC1HDAC2HDAC3HDAC10HDAC11
SCHEMBL3845369 0.82 HDAC1 (0.61) HDAC1HDAC2HDAC3HDAC10HDAC11
SCHEMBL3145708 0.81 HDAC1 (0.75) HDAC1HDAC2HDAC3HDAC10HDAC11
SCHEMBL3145719 0.81 HDAC1 (0.75) HDAC1HDAC2HDAC3HDAC10HDAC11
SCHEMBL3052736 0.81 HDAC1 (0.56) HDAC1HDAC2HDAC3HDAC10HDAC11
SCHEMBL296420 0.81 HDAC1 (0.79) HDAC1HDAC2HDAC3HDAC10HDAC11
SCHEMBL296704 0.81 HDAC1 (0.73) HDAC1HDAC2HDAC3HDAC10HDAC11
SCHEMBL296419 0.81 HDAC1 (0.79) HDAC1HDAC2HDAC3HDAC10HDAC11

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-1861365-B1 N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2009-07-01 EP claimed