SCHEMBL7442011

SCHEMBL7442011

N=C(NC(=O)OCc1ccccc1)c1ccc(C(=O)Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
MASP2 O00187 2/20 0.47
PLAU P00749 2/20 0.46
KLK8 O60259 1/20 0.46
F2 P00734 1/20 0.46
F10 P00742 1/20 0.46
PLG P00747 1/20 0.46
PLAT P00750 1/20 0.46
KLK4 Q9Y5K2 1/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CTRB1 P17538 2/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44

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
SCHEMBL5845871 0.88 NR4A1 (0.51) MASP2PLAULMNASMN1; SMN2SLC6A2
SCHEMBL10942377 0.88 LMNA (0.59) MASP2PLAULMNASMN1; SMN2SLC6A2
SCHEMBL7450597 0.87 CTRB1 (0.49) MASP2PLAUKLK8F2F10
SCHEMBL8363489 0.86 NPC1 (0.50) ALDH1A1MASP2LMNASMN1; SMN2SLC6A2
SCHEMBL6655085 0.86 PLAU (0.49) MASP2PLAUKLK8F2F10
Ammonia Solution, Strong SCHEMBL6511018 0.85 LMNA (0.46) ALDH1A1MASP2PLAUKLK8F2
SCHEMBL8407251 0.84 SRD5A2 (0.48) MASP2LMNASMN1; SMN2SLC6A2SLC6A3
SCHEMBL2771354 0.84 ENPP2 (0.52) ALDH1A1MASP2PLAUF2PLG
SCHEMBL28842161 0.84 PLAU (0.50) MASP2PLAUKLK8F2F10
SCHEMBL7276193 0.84 LMNA (0.55) MASP2LMNASMN1; SMN2SLC6A2SLC6A3

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