SCHEMBL7400472

SCHEMBL7400472

CCOC(=O)CCN1CC(=S)Nc2ccc(C(=O)Nc3ccc(C#N)cc3)cc2C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
LMNA P02545 3/20 0.39
TP53 P04637 1/20 0.39
TNF P01375 1/20 0.39
NAMPT P43490 3/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
ITGA2 P17301 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
RPS6KA2 Q15349 1/20 0.37
TLK2 Q86UE8 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
RAB9A P51151 2/20 0.36
TSHR P16473 1/20 0.36
POLB P06746 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
BTK Q06187 1/20 0.36

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
SCHEMBL7405127 0.95 MAPT (0.42) MAPTLMNATP53TNFNAMPT
SCHEMBL7401580 0.92 LMNA (0.40) MAPTLMNATP53TNFNAMPT
SCHEMBL7395413 0.87 MAPT (0.43) MAPTLMNATP53TNFNAMPT
SCHEMBL7397044 0.85 TNF (0.39) MAPTLMNATNFSMN1; SMN2ALDH1A1
SCHEMBL7405808 0.84 BRD4 (0.49) TNFALDH1A1
SCHEMBL7328382 0.78 ITGB3 (0.47) MAPTLMNATP53NAMPTITGB3
SCHEMBL7403173 0.77 TNF (0.47) MAPTLMNATP53TNFALDH1A1
SCHEMBL7404205 0.76 TNF (0.40) MAPTTNFSMN1; SMN2ALDH1A1KDM4E
SCHEMBL7401659 0.76 BRD4 (0.51) TNFALDH1A1
SCHEMBL7405133 0.75 TNF (0.45) TNFSMN1; SMN2ALDH1A1KDM4ETSHR

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