SCHEMBL9507031

SCHEMBL9507031

CC(C)(C)C=Cc1ccc(CSc2cnn(C(C)(C)C)c(=O)c2Cl)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.70
NPC1 O15118 1/20 0.70
GALR3 O60755 1/20 0.70
NR2F2 P24468 1/20 0.70
GPR183 P32249 1/20 0.70
RAB9A P51151 1/20 0.70
KMT2A Q03164 1/20 0.70
GPR35 Q9HC97 1/20 0.70
MAPT P10636 3/20 0.48
GAA P10253 2/20 0.48
PKM P14618 2/20 0.48
SMN1; SMN2 Q16637 7/20 0.39
LMNA P02545 5/20 0.39
HTT P42858 4/20 0.39
ALDH1A1 P00352 3/20 0.39
PPARG P37231 3/20 0.39
NCOA2 Q15596 3/20 0.39
NCOA1 Q15788 3/20 0.39
HPGD P15428 3/20 0.39
NPSR1 Q6W5P4 3/20 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
SCHEMBL9511583 0.91 MEN1 (0.73) MEN1NPC1GALR3NR2F2GPR183
SCHEMBL9236624 0.89 MEN1 (0.70) MEN1NPC1GALR3NR2F2GPR183
SCHEMBL9096458 0.89 MEN1 (0.73) MEN1NPC1GALR3NR2F2GPR183
SCHEMBL9775193 0.85 NPC1 (0.81) MEN1NPC1GALR3NR2F2GPR183
SCHEMBL9156982 0.84 NPC1 (0.70) MEN1NPC1GALR3NR2F2GPR183
SCHEMBL9097056 0.84 MEN1 (0.64) MEN1NPC1GALR3NR2F2GPR183
Pyridaben SCHEMBL27429 0.82 MEN1 (1.00) MEN1NPC1GALR3NR2F2GPR183
Pyridaben SCHEMBL8372466 0.82 MEN1 (1.00) MEN1NPC1GALR3NR2F2GPR183
SCHEMBL9234574 0.82 RAB9A (0.77) MEN1NPC1GALR3NR2F2GPR183
SCHEMBL9775172 0.81 MEN1 (0.76) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5140117-A None JP disclosed
JP-H05140117-A PYRIDAZINONE DERIVATIVE AND INSECTICIDAL AND ACARICIDAL AGENT CONTAINING SAME AS ACTIVE INGREDIENT OTSUKA CHEM CO LTD 1993-06-08 JP disclosed