SCHEMBL21736844

SCHEMBL21736844

CCc1ncc(SC)cc1Cl

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 1/20 0.32
CRHR1 P34998 2/20 0.31
KMT2A Q03164 2/20 0.31
S1PR4 O95977 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HTT P42858 2/20 0.31
GAA P10253 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL21737207 0.78 NOS3 (0.34) ALDH1A1
SCHEMBL30088418 0.77 ALDH1A1 (0.37) KMT2AHTTMEN1ALDH1A1L3MBTL1
SCHEMBL3710138 0.77 ALDH1A1 (0.37) KMT2AHTTMEN1ALDH1A1L3MBTL1
SCHEMBL10264617 0.77 CRHR1 (0.46) CRHR1KMT2AS1PR4HSD17B10HTT
SCHEMBL23815956 0.76 CYP11B1 (0.33)
SCHEMBL17943829 0.75 S1PR4 (0.36) CRHR1KMT2AS1PR4MEN1L3MBTL1
SCHEMBL27321635 0.75 HSD17B10 (0.37) CRHR1S1PR4HSD17B10L3MBTL1
SCHEMBL16139566 0.75 CHRNB2 (0.40) KMT2AHTTMEN1ALDH1A1L3MBTL1
SCHEMBL20245207 0.73 CRHR1 (0.32) CRHR1S1PR4L3MBTL1
SCHEMBL3344514 0.73 CYP3A4 (0.36) CRHR1KMT2AS1PR4MEN1ALDH1A1

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
EP-3611165-B1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT MITSUI CHEMICALS CROP & LIFE SOLUTIONS INC (JP) 2023-08-16 EP disclosed
EP-3611165-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP disclosed