SCHEMBL7405808

SCHEMBL7405808

CCOC(=O)CCN1CC(=S)Nc2ccc(NS(=O)(=O)c3ccc(C#N)cc3)cc2C1=O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.49
BRPF1 P55201 6/20 0.42
BRD1 O95696 4/20 0.40
BRPF3 Q9ULD4 3/20 0.40
BRD9 Q9H8M2 2/20 0.40
BRD7 Q9NPI1 1/20 0.40
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMARCA2 P51531 1/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
DRD3 P35462 1/20 0.39
HTR6 P50406 1/20 0.39
PLA2G7 Q13093 1/20 0.38
KDM1A O60341 1/20 0.38
TNF P01375 1/20 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
SCHEMBL7401659 0.92 BRD4 (0.51) BRD4BRPF1BRD1BRPF3BRD9
SCHEMBL7405127 0.86 MAPT (0.42) ALDH1A1TNF
SCHEMBL7400472 0.84 MAPT (0.39) ALDH1A1TNF
SCHEMBL7397044 0.80 TNF (0.39) ALDH1A1TNF
SCHEMBL7395413 0.78 MAPT (0.43) ALDH1A1TNF
SCHEMBL7401580 0.76 LMNA (0.40) BRD4ALDH1A1TNF
SCHEMBL7403173 0.76 TNF (0.47) ALDH1A1TNF
SCHEMBL7405133 0.73 TNF (0.45) ALDH1A1TNF
SCHEMBL7397188 0.72 MAOB (0.48) TNF
SCHEMBL7404205 0.72 TNF (0.40) ALDH1A1TNF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0708775-B1 TRICYCLIC INHIBITORS OF THE GPII b III a RECEPTOR GENENTECH INC (US) 1997-05-28 EP disclosed
EP-0708775-A1 TRICYCLIC INHIBITORS OF THE GPII b III a RECEPTOR GENENTECH INC (US) 1996-05-01 EP disclosed
US-5493020-A ANTICOAGULANTS GENENTECH, INC. (US) 1996-02-20 US disclosed
WO-1995004057-A1 TRICYCLIC INHIBITORS OF THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1995-02-09 WO disclosed