SCHEMBL21791304

SCHEMBL21791304

N=C(CN)NC(Cc1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.58
NPSR1 Q6W5P4 1/20 0.56
NAALAD2 Q9Y3Q0 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
ACE P12821 2/20 0.52
CPA1 P15085 2/20 0.52
ACE2 Q9BYF1 2/20 0.52
CA2 P00918 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CA1 P00915 1/20 0.52
FPR2 P25090 5/20 0.51
PTPN1 P18031 1/20 0.51

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
SCHEMBL232698 0.85 CTSC (0.60) MMENPSR1NAALAD2L3MBTL1ACE
SCHEMBL1498341 0.85 MME (0.59) MMENPSR1NAALAD2L3MBTL1ACE
SCHEMBL4432590 0.85 CTSC (0.60) MMENPSR1NAALAD2L3MBTL1ACE
SCHEMBL232699 0.85 CTSC (0.60) MMENPSR1NAALAD2L3MBTL1ACE
SCHEMBL1498340 0.85 MME (0.59) MMENPSR1NAALAD2L3MBTL1ACE
Bromide SCHEMBL11242978 0.83 CTSC (0.59) MMENPSR1NAALAD2L3MBTL1ACE
Hydrochloric Acid SCHEMBL3634876 0.83 CTSC (0.59) MMENPSR1NAALAD2L3MBTL1ACE
Hydrochloric Acid SCHEMBL9501928 0.83 CTSC (0.59) MMENPSR1NAALAD2L3MBTL1ACE
Water SCHEMBL28030234 0.83 CTSC (0.63) MMENPSR1NAALAD2L3MBTL1ACE
Water SCHEMBL28030233 0.83 CTSC (0.63) MMENPSR1NAALAD2L3MBTL1ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020043895-A1 PHOTOCHROMIC AND ELECTROCHROMIC COMPOUNDS THE UNIVERSITY COURT OF THE UNIVERSITY OF GLASGOW (GB) 2020-03-05 WO disclosed