SCHEMBL9319934

SCHEMBL9319934

COc1ccc(S(=O)(=O)Nc2ccc(C(=O)Cl)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.66
GAA P10253 1/20 0.66
MAPK1 P28482 1/20 0.66
HDAC4 P56524 3/20 0.64
HDAC1 Q13547 3/20 0.64
HDAC3 O15379 2/20 0.64
HDAC7 Q8WUI4 2/20 0.64
HDAC2 Q92769 2/20 0.64
HDAC10 Q969S8 2/20 0.64
HDAC11 Q96DB2 2/20 0.64
HDAC8 Q9BY41 2/20 0.64
HDAC6 Q9UBN7 2/20 0.64
HDAC9 Q9UKV0 2/20 0.64
HDAC5 Q9UQL6 2/20 0.64
ALDH1A1 P00352 2/20 0.61
PGR P06401 1/20 0.61
PPIA P62937 1/20 0.60
CRHBP P24387 1/20 0.59
CRHR2 Q13324 1/20 0.59
LIMK2 P53671 1/20 0.58

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
SCHEMBL1279147 0.87 PLAU (0.72) LMNAGAAMAPK1HDAC4HDAC1
SCHEMBL665556 0.87 GFER (0.72) LMNAGAAMAPK1HDAC4HDAC1
SCHEMBL8227909 0.87 GFER (0.72) LMNAGAAMAPK1HDAC4HDAC1
SCHEMBL4090549 0.87 MAPT (0.70) LMNAGAAMAPK1HDAC4HDAC1
SCHEMBL790294 0.86 GAA (0.86) LMNAGAAMAPK1ALDH1A1PGR
SCHEMBL5457275 0.85 POLB (0.72) LMNAGAAMAPK1HDAC4HDAC1
SCHEMBL15482273 0.84 HDAC3 (0.68) LMNAGAAMAPK1HDAC4HDAC1
SCHEMBL7211675 0.83 MAPT (0.74) LMNAGAAMAPK1HDAC4HDAC1
SCHEMBL13028454 0.83 GFER (0.67) LMNAGAAMAPK1HDAC4HDAC1
SCHEMBL14408110 0.82 HDAC4 (0.71) LMNAGAAMAPK1HDAC4HDAC1

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
US-5346904-A BRONCHODILATOR AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1994-09-13 US disclosed