SCHEMBL7401266

SCHEMBL7401266

CN1c2ccc(N)cc2CNC(=O)C1CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
ATAD2 Q6PL18 1/20 0.39
ALDH1A1 P00352 9/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 3/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.33
HPGD P15428 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 2/20 0.33
KMT2A Q03164 2/20 0.33
APEX1 P27695 1/20 0.33
ITGB3 P05106 2/20 0.33
ITGA2B P08514 2/20 0.33
HRH4 Q9H3N8 1/20 0.32
MEN1 O00255 1/20 0.32
CASP1 P29466 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL7919242 0.85 TSHR (0.43) TSHRALDH1A1SMN1; SMN2L3MBTL1TDP1
SCHEMBL7078805 0.85 TSHR (0.43) TSHRALDH1A1SMN1; SMN2L3MBTL1TDP1
SCHEMBL7658169 0.75 ITGB3 (0.56) TSHRALDH1A1SMN1; SMN2L3MBTL1TDP1
SCHEMBL7368305 0.72 ITGB3 (0.60) TP53ITGB3ITGA2B
SCHEMBL7398006 0.71 ITGB3 (0.50) ITGB3ITGA2B
SCHEMBL7397999 0.71 ITGB3 (0.50) ITGB3ITGA2B
SCHEMBL16972772 0.70 ATAD2 (0.46) ATAD2ALDH1A1L3MBTL1TDP1KDM4E
SCHEMBL7079518 0.69 TSHR (0.36) TSHRALDH1A1SMN1; SMN2L3MBTL1TDP1
SCHEMBL8468700 0.68 ALDH1A1 (0.43) TSHRALDH1A1SMN1; SMN2L3MBTL1KDM4E
SCHEMBL20548510 0.67 ATAD2 (0.55) ATAD2ALDH1A1TDP1KDM4EGAA

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
EP-0593603-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-11-20 EP disclosed
US-6127359-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-10-03 US disclosed
US-5939412-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 1999-08-17 US disclosed
US-5693636-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 1997-12-02 US disclosed
EP-0593603-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-04-27 EP disclosed
WO-1993000095-A2 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-01-07 WO disclosed