SCHEMBL30866950

SCHEMBL30866950

Clc1ccc(C2CC(c3ccccc3)=NO2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.52
PPARG P37231 1/20 0.52
PPARA Q07869 1/20 0.52
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
ATM Q13315 1/20 0.46
RAB9A P51151 1/20 0.45
S1PR1 P21453 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MAOA P21397 1/20 0.44

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
SCHEMBL14880239 0.94 MAOB (0.52) MAOBPPARGPPARAMEN1CYP1A2
SCHEMBL6939090 0.88 TSHR (0.51) MAOBPPARGPPARAATMRAB9A
SCHEMBL3968910 0.84 ATM (0.46) MAOBPPARGPPARAATMRAB9A
SCHEMBL3968913 0.84 ATM (0.46) MAOBPPARGPPARAMEN1KMT2A
SCHEMBL3969669 0.82 ATM (0.47) MAOBPPARGPPARAATMRAB9A
SCHEMBL3970157 0.80 CA1 (0.43) MAOBPPARGPPARAATMS1PR1
SCHEMBL12419630 0.80 CA1 (0.44) MAOBPPARGPPARAATMS1PR1
SCHEMBL3970160 0.80 MEN1 (0.49) MAOBPPARGPPARAMEN1KMT2A
SCHEMBL12922866 0.79 PTPN1 (0.47) MAOBPPARGPPARAATMS1PR1
SCHEMBL14880611 0.77 MIF (0.52) MAOBPPARGPPARAATMS1PR1

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
CN-117964570-B Method for efficiently synthesizing pesticide molecular intermediate isoxazole (morpholine) through light-mediated green 湖南省第二测绘院 2024-11-15 CN disclosed
CN-117964570-A Method for efficiently synthesizing pesticide molecular intermediate isoxazole (morpholine) through light-mediated green 湖南省第二测绘院 2024-05-03 CN disclosed