SCHEMBL7434141

SCHEMBL7434141

COC(=O)CN1Cc2cc([N+](=O)[O-])ccc2CNC1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
NAMPT P43490 1/20 0.41
ALDH1A1 P00352 3/20 0.40
GLA P06280 1/20 0.40
PNMT P11086 5/20 0.39
ADRA2A P08913 3/20 0.39
ADRA2B P18089 2/20 0.39
ADRA2C P18825 2/20 0.39
SIGMAR1 Q99720 1/20 0.39
MMP8 P22894 2/20 0.39
MMP3 P08254 1/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 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
SCHEMBL7437290 0.95 PNMT (0.42) DPP7NAMPTALDH1A1GLAPNMT
SCHEMBL7440791 0.81 ITGB3 (0.47) ITGB3ITGA2BNAMPTALDH1A1MMP8
SCHEMBL7448788 0.76 ALDH1A1 (0.42) DPP7NAMPTALDH1A1GLASIGMAR1
SCHEMBL14558962 0.75 DRD2 (0.54) ALDH1A1SIGMAR1MAPTNPC1MAPK1
SCHEMBL7664159 0.74 ALDH1A1 (0.42) DPP7NAMPTALDH1A1GLASIGMAR1
SCHEMBL655730 0.74 ALDH1A1 (0.44) ALDH1A1GLAPNMTADRA2AADRA2B
SCHEMBL655452 0.74 ALDH1A1 (0.41) ALDH1A1GLAPNMTADRA2AADRA2B
SCHEMBL38658114 0.71 DPP7 (0.51) DPP7NAMPTALDH1A1GLASIGMAR1
SCHEMBL8699228 0.70 SIRT2 (0.48) ALDH1A1MAPTNPC1MAPK1RAB9A
SCHEMBL7399767 0.69 ALDH1A1 (0.40) ITGB3ALDH1A1PNMTADRA2AADRA2B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6403578-B1 ANTICOAGULANTS, CARDIOVASCULAR DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-06-11 US disclosed
EP-0674623-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-10-04 EP disclosed
WO-1994014776-A2 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-07-07 WO disclosed