SCHEMBL7501072

SCHEMBL7501072

N=C(NCC(=O)O)n1cccn1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.44
FBP1 P09467 1/20 0.35
ELANE P08246 3/20 0.35
EGLN2 Q96KS0 1/20 0.34
FTO Q9C0B1 1/20 0.34
EGLN1 Q9GZT9 3/20 0.34
PDE4B Q07343 2/20 0.34
F2 P00734 1/20 0.33
PLAU P00749 1/20 0.33
KLKB1 P03952 1/20 0.33

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
SCHEMBL8610230 0.77 NOS1 (0.48) NOS1FBP1ELANEPDE4BF2
Hydrochloric Acid SCHEMBL6817134 0.75 NOS1 (0.47) NOS1FBP1ELANEPDE4BF2
SCHEMBL7499147 0.74 NOS1 (0.36) NOS1PDE4B
SCHEMBL7499156 0.74 NOS1 (0.36) NOS1PDE4B
SCHEMBL23879317 0.74 NOS1 (0.46) NOS1FBP1ELANE
Hydrochloric Acid SCHEMBL18585718 0.72 NOS1 (0.44) NOS1FBP1ELANE
SCHEMBL20630586 0.72 OTC (0.42) NOS1
Hydrochloric Acid SCHEMBL6503814 0.72 ALOX12 (0.41) NOS1PDE4B
SCHEMBL19840582 0.71 NOS1 (0.47) NOS1FBP1ELANEPDE4BF2
SCHEMBL23259297 0.70 TDP1 (0.40) NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0859607-B1 GUANIDINO PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 2002-12-18 EP disclosed
EP-0859607-A4 GUANIDINO PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 1999-05-06 EP disclosed
EP-0859607-A1 GUANIDINO PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1998-08-26 EP disclosed
US-5792769-A POTENT ANTICOAGULANT, ANTIINFLAMMATORY AGENT; TREATMENT/PROPHYLAXIS OF RESPIRATORY SYSTEM DISORDERS, VASCULAR SYSTEM DISORDERS, ANTITUMOR AGENTS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1998-08-11 US disclosed
WO-1997011693-A1 GUANIDINO PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1997-04-03 WO disclosed