SCHEMBL9775232

SCHEMBL9775232

CC(C)(C)c1ccc(CSc2cnn(C(C)(C)C)c(=O)c2Br)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.74
NPC1 O15118 1/20 0.74
GALR3 O60755 1/20 0.74
NR2F2 P24468 1/20 0.74
GPR183 P32249 1/20 0.74
RAB9A P51151 1/20 0.74
KMT2A Q03164 1/20 0.74
GPR35 Q9HC97 1/20 0.74
SCN9A Q15858 4/20 0.44
SCN5A Q14524 2/20 0.44
DAO P14920 1/20 0.41
GRIN2C Q14957 1/20 0.39
MAPT P10636 4/20 0.39
GAA P10253 2/20 0.39
PKM P14618 1/20 0.39
EGFR P00533 1/20 0.38
MET P08581 1/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 2/20 0.38

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
SCHEMBL9237624 0.86 MEN1 (0.76) MEN1NPC1GALR3NR2F2GPR183
SCHEMBL9237017 0.86 MEN1 (0.76) MEN1NPC1GALR3NR2F2GPR183
Pyridaben SCHEMBL27429 0.85 MEN1 (1.00) MEN1NPC1GALR3NR2F2GPR183
Pyridaben SCHEMBL8372466 0.85 MEN1 (1.00) MEN1NPC1GALR3NR2F2GPR183
SCHEMBL9239780 0.85 MEN1 (0.74) MEN1NPC1GALR3NR2F2GPR183
SCHEMBL4958414 0.85 MEN1 (0.74) MEN1NPC1GALR3NR2F2GPR183
SCHEMBL9235418 0.84 MEN1 (0.72) MEN1NPC1GALR3NR2F2GPR183
SCHEMBL3848520 0.84 MEN1 (0.72) MEN1NPC1GALR3NR2F2GPR183
SCHEMBL9233781 0.83 MEN1 (0.71) MEN1NPC1GALR3NR2F2GPR183
SCHEMBL3897719 0.83 MEN1 (0.71) MEN1NPC1GALR3NR2F2GPR183

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5026850-A Pyridazinone derivatives, preparation thereof, and insecticidal, acaricidal, fungicidal compositions NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1991-06-25 US disclosed
US-4877787-A Benzylthio pyridazinone derivatives, preparation thereof, and insecticidal acaricidal, fungicidal compositions NISSAN CHEMICAL INDUSTRIES (JP) 1989-10-31 US disclosed
EP-0134439-B1 PYRIDAZINONE DERIVATIVES, PREPARATION THEREOF AND INSECTICIDAL, ACARICIDAL, FUNGICIDAL COMPOSITIONS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1988-08-24 EP disclosed
EP-0134439-A1 Pyridazinone derivatives, preparation thereof and insecticidal, acaricidal, fungicidal compositions NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1985-03-20 EP disclosed