SCHEMBL7405133

SCHEMBL7405133

CCOC(=O)CCN1CC(=S)Nc2ccccc2C1=O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.45
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 6/20 0.43
GAA P10253 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
KMT2A Q03164 2/20 0.42
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
HPGD P15428 2/20 0.41
THRB P10828 1/20 0.41
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
MEN1 O00255 1/20 0.39
PTPN1 P18031 1/20 0.39

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
SCHEMBL7332719 0.88 TNF (0.47) TNFKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL7403173 0.85 TNF (0.47) TNFALDH1A1
SCHEMBL7333036 0.75 KDM4E (0.44) TNFKDM4EALDH1A1GAAKMT2A
SCHEMBL7397044 0.75 TNF (0.39) TNFKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL7445163 0.73 MEN1 (0.56) TNFKMT2ATSHRMEN1
SCHEMBL7400118 0.73 TNF (0.48) TNFALDH1A1GAAKMT2ATSHR
SCHEMBL16540227 0.73 MAPT (0.49) TNFKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL7429783 0.72 ALOX15 (0.59) TNFKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL9798486 0.70 HPGD (0.63) ALDH1A1GAASMN1; SMN2KMT2ATSHR
SCHEMBL9317302 0.70 KDM4E (0.63) KDM4EALDH1A1GAASMN1; SMN2KMT2A

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