SCHEMBL9828535

SCHEMBL9828535

CCCOc1ccc(CSc2cnn(C(C)(C)C)c(=O)c2Cl)cn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.63
NPC1 O15118 1/20 0.63
GALR3 O60755 1/20 0.63
NR2F2 P24468 1/20 0.63
GPR183 P32249 1/20 0.63
RAB9A P51151 1/20 0.63
KMT2A Q03164 1/20 0.63
GPR35 Q9HC97 1/20 0.63
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 7/20 0.38
LMNA P02545 4/20 0.38
HTT P42858 3/20 0.36
HPGD P15428 2/20 0.36
ATM Q13315 1/20 0.36
MAPK1 P28482 3/20 0.36
NPSR1 Q6W5P4 2/20 0.34
ALDH1A1 P00352 2/20 0.33
PPARG P37231 2/20 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
SCHEMBL9775144 0.87 RAB9A (0.69) MEN1NPC1GALR3NR2F2GPR183
SCHEMBL9828269 0.87 MEN1 (0.62) MEN1NPC1GALR3NR2F2GPR183
SCHEMBL9829510 0.85 MEN1 (0.63) MEN1NPC1GALR3NR2F2GPR183
SCHEMBL9238667 0.85 RAB9A (0.60) MEN1NPC1GALR3NR2F2GPR183
SCHEMBL9829264 0.83 MEN1 (0.58) MEN1NPC1GALR3NR2F2GPR183
SCHEMBL9775159 0.81 NPC1 (0.66) MEN1NPC1GALR3NR2F2GPR183
SCHEMBL9775230 0.81 MEN1 (0.71) MEN1NPC1GALR3NR2F2GPR183
SCHEMBL9775171 0.80 NPC1 (0.65) MEN1NPC1GALR3NR2F2GPR183
SCHEMBL9775195 0.80 NPC1 (0.65) MEN1NPC1GALR3NR2F2GPR183
SCHEMBL9775193 0.80 NPC1 (0.81) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0199281-B1 PYRIDAZINONE DERIVATIVES, PREPARATION THEREOF, AND INSECTICIDAL, ACARICIDAL, NEMATICIDAL, FUNGICIDAL COMPOSITIONS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1991-07-10 EP disclosed
US-4837217-A Pyridazinone derivatives, preparation thereof, and insecticidal, acaricidal, nematicidal, fungicidal compositions NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1989-06-06 US disclosed
EP-0199281-A2 Pyridazinone derivatives, preparation thereof, and insecticidal, acaricidal, nematicidal, fungicidal compositions NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1986-10-29 EP disclosed