SCHEMBL28216477

SCHEMBL28216477

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.53
ALPI P09923 1/20 0.44
PKM P14618 1/20 0.44
PTGS1 P23219 1/20 0.44
XIAP P98170 1/20 0.44
SLC7A5 Q01650 1/20 0.44
CYP1A2 P05177 1/20 0.43
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SRR Q9GZT4 2/20 0.41
SLC1A3 P43003 2/20 0.41
SLC1A2 P43004 2/20 0.41
SLC1A1 P43005 2/20 0.41
MDM2 Q00987 1/20 0.40
SLC15A1 P46059 1/20 0.39
TRPA1 O75762 1/20 0.39
CYP3A4 P08684 1/20 0.39
MIF P14174 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL5062356 0.86 CYP1A2 (0.50) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL6987849 0.86 CYP1A2 (0.50) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL30011914 0.85 EPHX1 (0.50) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL28308507 0.85 EPHX1 (0.50) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL4700347 0.80 MIF (0.54) ALDH1A1POLBMIFANPEP
SCHEMBL20076692 0.79 EPHX1 (0.55) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL20627160 0.79 EPHX1 (0.55) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL13588522 0.77 EPHX1 (0.53) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL3888546 0.76 HPGD (0.58) HPGD
SCHEMBL3888540 0.76 HPGD (0.58) HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108025574-B Thermal recording medium 三光株式会社 2019-04-16 CN disclosed
CN-108025574-A Thermal recording medium 三光株式会社 2018-05-11 CN disclosed