SCHEMBL6655085

SCHEMBL6655085

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 4/20 0.49
F2 P00734 3/20 0.49
PLAT P00750 3/20 0.49
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
PLG P00747 2/20 0.46
KLK8 O60259 1/20 0.46
F10 P00742 1/20 0.46
KLK4 Q9Y5K2 1/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45

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
Hydrochloric Acid SCHEMBL15251731 0.99 PLAU (0.48) PLAUF2PLATCA12CA1
SCHEMBL5845871 0.88 NR4A1 (0.51) PLAUCA12CA1CA2CA9
SCHEMBL10942377 0.88 LMNA (0.59) PLAUCA12CA1CA2CA9
SCHEMBL28842161 0.87 PLAU (0.50) PLAUF2PLATCA12CA1
SCHEMBL1457681 0.87 PLAU (0.49) PLAUF2PLATCA12CA1
SCHEMBL7450597 0.87 CTRB1 (0.49) PLAUF2PLATCA12CA1
Hydrochloric Acid SCHEMBL15251794 0.87 PLAU (0.48) PLAUF2PLATCA12CA1
SCHEMBL23511586 0.86 MEN1 (0.54) PLAUF2PLATCA1CA2
Hydrochloric Acid SCHEMBL5846787 0.86 PLAU (0.48) PLAUF2PLATCA12CA1
SCHEMBL7442011 0.86 ALDH1A1 (0.50) PLAUF2PLATCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995018619-A9 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-10-21 WO disclosed
EP-1102746-B1 SUBSTITUTED PHENYLAMIDINES WITH ANTITHROMBOTIC ACTION BOEHRINGER INGELHEIM PHARMA (DE) 2003-05-14 EP disclosed
EP-0593603-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-11-20 EP disclosed
US-6403578-B1 ANTICOAGULANTS, CARDIOVASCULAR DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-06-11 US disclosed
US-6242466-B1 ANTICOAGULANTS, ANTITUMOR, ANTIMETASTASIS, ANTICARCINOGENIC, AND ANTIINFLAMMATORY AGENTS; BONE DISORDERS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-06-05 US disclosed
EP-1102746-A1 SUBSTITUTED PHENYLAMIDINES WITH ANTITHROMBOTIC ACTION BOEHRINGER INGELHEIM KG (DE) 2001-05-30 EP disclosed
US-6127359-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-10-03 US disclosed
US-6117866-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-09-12 US disclosed
WO-2000005207-A1 SUBSTITUTED PHENYLAMIDINES WITH ANTITHROMBOTIC ACTION BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-02-03 WO 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-0738150-A4 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1997-03-19 EP disclosed
EP-0738150-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-10-23 EP disclosed
EP-0674623-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-10-04 EP disclosed
WO-1995018619-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-07-13 WO disclosed
WO-1994014776-A2 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-07-07 WO 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