SCHEMBL7498540

SCHEMBL7498540

N=C(N)c1cccc(N[C]=O)c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 9/20 0.47
PRSS2 P07478 6/20 0.47
PRSS3 P35030 6/20 0.47
F2 P00734 4/20 0.47
PLG P00747 2/20 0.47
C1S P09871 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.44
PLAU P00749 2/20 0.43
PLAT P00750 1/20 0.43
KLKB1 P03952 1/20 0.43
KLK1 P06870 1/20 0.43
NOS1 P29475 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
F10 P00742 1/20 0.42
F12 P00748 1/20 0.42
F7 P08709 1/20 0.42
F3 P13726 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL27789671 0.84 MEN1 (0.54)
SCHEMBL2444355 0.78 AKR1C3 (0.53) PKM
SCHEMBL7440437 0.77 PRSS1 (0.57) PRSS1PRSS2PRSS3F2PLAU
SCHEMBL7410095 0.76 PRSS1 (0.49) PRSS1PRSS2PRSS3F2PLG
Amicarbalide SCHEMBL1818799 0.76 PLAU (0.65) PRSS1PRSS2PRSS3F2PLG
SCHEMBL7529026 0.76 KMT2A (0.59) PKM
SCHEMBL630874 0.76 MEN1 (0.42)
SCHEMBL10177622 0.76 PRSS1 (0.52) PRSS1PRSS2PRSS3F2PLG
SCHEMBL10671451 0.76 PRSS1 (0.52) PRSS1PRSS2PRSS3F2PLG
SCHEMBL4226386 0.75 PLAU (0.55) PRSS1PRSS2PRSS3F2PLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6458784-B1 PHARMACEUTICALLY ACTIVE BENZODIAZAPINE COMPOUNDS OF FORMULA (I) ARE DISCLOSED. THESE COMPOUNDS INHIBIT THE VITRONECTIN RECEPTOR AND ARE USEFUL FOR TREATMENT OF OSTEOPOROSIS. SMITHKLINE BEECHAM CORPORATION 2002-10-01 US claimed
EP-0762882-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-09-11 EP claimed
EP-0762882-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-03-19 EP claimed
WO-1996000574-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-01-11 WO claimed
US-6458784-B1 PHARMACEUTICALLY ACTIVE BENZODIAZAPINE COMPOUNDS OF FORMULA (I) ARE DISCLOSED. THESE COMPOUNDS INHIBIT THE VITRONECTIN RECEPTOR AND ARE USEFUL FOR TREATMENT OF OSTEOPOROSIS. SMITHKLINE BEECHAM CORPORATION 2002-10-01 US disclosed
EP-0762882-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-09-11 EP disclosed
EP-0762882-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-03-19 EP disclosed
WO-1996000574-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-01-11 WO disclosed