SCHEMBL8422124

SCHEMBL8422124

NC(N)=NN[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.50
NPSR1 Q6W5P4 1/20 0.49
ALPI P09923 1/20 0.49
PKM P14618 1/20 0.49
PTGS1 P23219 1/20 0.49
XIAP P98170 1/20 0.49
SLC7A5 Q01650 1/20 0.49
NAALAD2 Q9Y3Q0 2/20 0.48
CYP1A2 P05177 1/20 0.47
ACE P12821 1/20 0.47
MMP2 P08253 4/20 0.47
MMP9 P14780 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ADAMTS4 O75173 1/20 0.47
FOLH1 Q04609 1/20 0.46
CA2 P00918 1/20 0.46

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
SCHEMBL8835601 0.81 MME (0.58) MMENPSR1NAALAD2CYP1A2ACE
SCHEMBL8835606 0.81 MME (0.58) MMENPSR1NAALAD2CYP1A2ACE
SCHEMBL11340766 0.80 POLB (0.50) MMENPSR1ALPIPKMPTGS1
SCHEMBL1012022 0.77 MME (0.63) MMENPSR1NAALAD2ACEL3MBTL1
SCHEMBL1012053 0.77 MME (0.63) MMENPSR1NAALAD2ACEL3MBTL1
SCHEMBL1012023 0.77 MME (0.63) MMENPSR1NAALAD2ACEL3MBTL1
SCHEMBL93439 0.77 GNPAT (0.58) MMENPSR1ALPIPKMPTGS1
SCHEMBL93440 0.77 GNPAT (0.58) MMENPSR1ALPIPKMPTGS1
SCHEMBL412958 0.77 GNPAT (0.58) MMENPSR1ALPIPKMPTGS1
SCHEMBL5694618 0.77 GNPAT (0.58) MMENPSR1ALPIPKMPTGS1

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-5874472-A Aminoacid derivatives as no synthase inhibitors GLAXO WELLCOME INC. (US) 1999-02-23 US claimed
EP-0705257-B1 AMINOACID DERIVATIVES AS NO SYNTHASE INHIBITORS WELLCOME FOUND (GB) 1998-03-11 EP claimed
EP-0705257-A1 AMINOACID DERIVATIVES AS NO SYNTHASE INHIBITORS THE WELLCOME FOUNDATION LIMITED (GB) 1996-04-10 EP claimed
WO-1995000505-A1 AMINOACID DERIVATIVES AS NO SYNTHASE INHIBITORS THE WELLCOME FOUNDATION LIMITED (GB) 1995-01-05 WO claimed
US-5874472-A Aminoacid derivatives as no synthase inhibitors GLAXO WELLCOME INC. (US) 1999-02-23 US disclosed
EP-0705257-B1 AMINOACID DERIVATIVES AS NO SYNTHASE INHIBITORS WELLCOME FOUND (GB) 1998-03-11 EP disclosed
EP-0705257-A1 AMINOACID DERIVATIVES AS NO SYNTHASE INHIBITORS THE WELLCOME FOUNDATION LIMITED (GB) 1996-04-10 EP disclosed
WO-1995000505-A1 AMINOACID DERIVATIVES AS NO SYNTHASE INHIBITORS THE WELLCOME FOUNDATION LIMITED (GB) 1995-01-05 WO disclosed