SCHEMBL7403173

SCHEMBL7403173

CCOC(=O)CCN1CC(=S)Nc2ccc(I)cc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TNF P01375 3/20 0.47
PDGFRB P09619 1/20 0.38
KDR P35968 1/20 0.38
LRRK2 Q5S007 1/20 0.37
KAT2B Q92831 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
TP53 P04637 4/20 0.34
MDM2 Q00987 4/20 0.34
LMNA P02545 1/20 0.34
TGM2 P21980 1/20 0.33
CES1 P23141 1/20 0.33
OPRM1 P35372 1/20 0.33
PIN1 Q13526 1/20 0.33
PIN4 Q9Y237 1/20 0.33

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
SCHEMBL7400118 0.89 TNF (0.48) TNFPDGFRBKDRLRRK2KAT2B
SCHEMBL7405133 0.85 TNF (0.45) TNFALDH1A1
SCHEMBL9051820 0.85 KDM4E (0.46) PDGFRBKDRLRRK2ALDH1A1TP53
SCHEMBL7397044 0.78 TNF (0.39) TNFALDH1A1MAPTLMNA
SCHEMBL7325381 0.78 ITGB3 (0.46) TNFKAT2BALDH1A1PIN1PIN4
SCHEMBL7405127 0.77 MAPT (0.42) TNFLRRK2ALDH1A1MAPTTP53
SCHEMBL7400472 0.77 MAPT (0.39) TNFALDH1A1MAPTTP53LMNA
SCHEMBL7445163 0.77 MEN1 (0.56) TNFPDGFRBKDRLRRK2
SCHEMBL7405808 0.76 BRD4 (0.49) TNFALDH1A1
SCHEMBL7332719 0.73 TNF (0.47) TNFALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5716951-A PLATELET AGGREGATION INHIBITORS GENENTECH, INC. (US) 1998-02-10 US disclosed
US-5705890-A PLATELET AGGREGATION INHIBITOR, ANTITHROMBOTIC GENENTECH, INC. (US) 1998-01-06 US disclosed
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