SCHEMBL21737207

SCHEMBL21737207

CCc1cc(SC)cnc1CC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
PSMB5 P28074 1/20 0.32
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
GABRA4 P48169 1/20 0.31
GABRE P78334 1/20 0.31
GABRA6 Q16445 1/20 0.31
GABRG1 Q8N1C3 1/20 0.31
GABRG3 Q99928 1/20 0.31
GABRQ Q9UN88 1/20 0.31

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
SCHEMBL23815956 0.78 CYP11B1 (0.33)
SCHEMBL21736844 0.78 SLC5A2 (0.32) ALDH1A1
SCHEMBL21719025 0.77 GABRP (0.31) NOS3NOS1NOS2GABRPGABRD
SCHEMBL27785778 0.76 KDM5B (0.31) NOS3NOS1NOS2GABRPGABRD
SCHEMBL20321338 0.74 NOS3 (0.41) NOS3NOS1NOS2PSMB5GABRP
SCHEMBL7115171 0.74 PARP1 (0.37) NOS3NOS1NOS2PSMB5GABRP
SCHEMBL21737204 0.72 CRHR1 (0.39) NOS3NOS1NOS2PSMB5GABRA1
SCHEMBL22842950 0.72 AGBL2 (0.46) NOS3NOS1NOS2PSMB5GABRP
SCHEMBL24950445 0.69 NOS3 (0.33) NOS3NOS1NOS2PSMB5GABRP
SCHEMBL21736849 0.69 NQO1 (0.39) NOS3NOS1NOS2ALDH1A1POLB

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 3 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-3636636-B1 PYRIDONE COMPOUND AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE MITSUI CHEMICALS AGRO INC (JP) 2022-07-06 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