SCHEMBL6658849

SCHEMBL6658849

CNc1ccc(C(=N)NC(=O)OCc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.47
MASP2 O00187 1/20 0.46
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP3A4 P08684 1/20 0.43
ATM Q13315 1/20 0.43
CTRB1 P17538 2/20 0.43
MGLL Q99685 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
PLAU P00749 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL8363489 0.86 NPC1 (0.50) RAB9AKMT2AMASP2NPC1ALDH1A1
SCHEMBL10942377 0.86 LMNA (0.59) RAB9AKMT2AMASP2NPC1POLB
SCHEMBL5845871 0.86 NR4A1 (0.51) RAB9AKMT2AMASP2NPC1POLB
SCHEMBL15373363 0.85 MASP2 (0.52) RAB9AMASP2NPC1ALDH1A1LMNA
SCHEMBL14161303 0.85 MAPT (0.54) RAB9AKMT2AGAAMASP2NPC1
SCHEMBL7450597 0.85 CTRB1 (0.49) RAB9AKMT2AMASP2NPC1POLB
SCHEMBL23511586 0.84 MEN1 (0.54) RAB9AKMT2AMASP2NPC1ALDH1A1
SCHEMBL7442011 0.83 ALDH1A1 (0.50) RAB9AKMT2AMASP2NPC1POLB
SCHEMBL6655085 0.83 PLAU (0.49) RAB9AKMT2AMASP2NPC1LMNA
SCHEMBL23511587 0.83 RAB9A (0.51) RAB9AKMT2AMASP2NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021178902-A1 METHODS OF INHIBITING MASP-2 FOR THE TREATMENT AND/OR PREVENTION OF CORONAVIRUS-INDUCED ACUTE RESPIRATORY DISTRESS SYNDROME OMEROS CORPORATION (US) 2021-09-10 WO disclosed
WO-2021113686-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION (US) 2021-06-10 WO disclosed
WO-1995018619-A9 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-10-21 WO disclosed
EP-0738150-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-05-02 EP disclosed
EP-0674623-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-04-09 EP disclosed
US-6403578-B1 ANTICOAGULANTS, CARDIOVASCULAR DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-06-11 US disclosed
US-6117866-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-09-12 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