SCHEMBL7404205

SCHEMBL7404205

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.40
USP14 P54578 4/20 0.36
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SMYD3 Q9H7B4 1/20 0.33
MAOA P21397 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
SCHEMBL7397044 0.92 TNF (0.39) TNFUSP14GABRA1GABRG2GABRB3
SCHEMBL7397188 0.85 MAOB (0.48) TNFRAB9AKMT2AMAOAMAOB
SCHEMBL7395413 0.84 MAPT (0.43) TNFRAB9AALDH1A1MEN1KMT2A
SCHEMBL7401580 0.84 LMNA (0.40) TNFRAB9AALDH1A1KMT2AMAPT
SCHEMBL7401659 0.79 BRD4 (0.51) TNFALDH1A1
SCHEMBL7400118 0.77 TNF (0.48) TNFALDH1A1MEN1KMT2A
SCHEMBL7445163 0.77 MEN1 (0.56) TNFGABRA1GABRG2GABRB3GABRA5
SCHEMBL7405127 0.76 MAPT (0.42) TNFRAB9AALDH1A1MEN1KMT2A
SCHEMBL7400472 0.76 MAPT (0.39) TNFRAB9AALDH1A1KMT2AMAPT
SCHEMBL7332719 0.74 TNF (0.47) TNFCA12CA2CA9ALDH1A1

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