SCHEMBL7401262

SCHEMBL7401262

COC(=O)CC1Nc2ccc(N)cc2CNC1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.42
ITGAV P06756 4/20 0.42
JAK2 O60674 1/20 0.36
GAA P10253 3/20 0.36
USP2 O75604 1/20 0.36
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KMT2A Q03164 3/20 0.34
MAPT P10636 2/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
EGFR P00533 1/20 0.34
TP53 P04637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL7917615 0.87 ITGB3 (0.41) ITGB3ITGAVJAK2GAAUSP2
SCHEMBL7397999 0.86 ITGB3 (0.50) ITGB3ITGAV
SCHEMBL7398006 0.86 ITGB3 (0.50) ITGB3ITGAV
SCHEMBL7078802 0.86 ITGB3 (0.49) ITGB3ITGAVJAK2MAPTKDM4E
SCHEMBL8525635 0.84 JAK2 (0.46) ITGB3ITGAVJAK2GAAHTT
SCHEMBL7399767 0.83 ALDH1A1 (0.40) ITGB3ITGAVGAAMAPTALDH1A1
SCHEMBL7402309 0.80 NR1H2 (0.35) ITGB3ITGAVPDE3BPDE3ATNF
SCHEMBL9021160 0.74 GAA (0.43) ITGB3ITGAVGAA
SCHEMBL9021166 0.74 GAA (0.43) ITGB3ITGAVGAA
SCHEMBL8468698 0.72 KDM4E (0.44) ITGB3ITGAVGAAHTTHSD17B10

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