SCHEMBL21188346

SCHEMBL21188346

N=C(/C(N)=N\O)c1noc(=O)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CTH P32929 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
SCHEMBL21749460 0.63
SCHEMBL24188741 0.59 ALDH1A1 (0.40) ALDH1A1MAPTHPGDNPSR1L3MBTL1
SCHEMBL21769502 0.59 ALDH1A1 (0.40) ALDH1A1MAPTHPGDNPSR1L3MBTL1
SCHEMBL24192726 0.57 THRB (0.43) ALDH1A1MAPTHPGDNPSR1L3MBTL1
SCHEMBL24408065 0.56 THRB (0.40) ALDH1A1MAPTHPGDNPSR1L3MBTL1
SCHEMBL24193214 0.56 HPGD (0.37) ALDH1A1MAPTHPGDNPSR1L3MBTL1
SCHEMBL22924681 0.54
SCHEMBL16849208 0.53
SCHEMBL22626700 0.53
SCHEMBL4896144 0.53

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-2019141027-A1 INDOLEAMINE 2,3-DIOXYGENASE INHIBITOR, PREPARATION METHOD THEREOF AND USE THEREOF 南京华威医药科技集团有限公司 2019-07-25 WO disclosed