SCHEMBL19244579

SCHEMBL19244579

Nc1ccc(C2CC(c3ccc(O)cc3)=NO2)cc1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.47
MIF P14174 10/20 0.47
PRKCZ Q05513 1/20 0.46
S1PR1 P21453 4/20 0.44
PPARG P37231 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL14458187 0.85 POLB (0.52) MAOBMIFS1PR1PPARG
SCHEMBL3968913 0.84 ATM (0.46) MAOBS1PR1PPARG
SCHEMBL14880611 0.84 MIF (0.52) MAOBMIFS1PR1PPARGHDAC6
SCHEMBL3970822 0.83 MAOB (0.45) MAOBS1PR1PPARG
SCHEMBL3967975 0.83 MAOB (0.45) MAOBMIFS1PR1
SCHEMBL8177977 0.81 MAOB (0.44) MAOBS1PR1
SCHEMBL1257980 0.81 KIF11 (0.49) MAOBMIFS1PR1
SCHEMBL31341202 0.81 PTPN1 (0.59) MAOBMIF
SCHEMBL1258904 0.78 MEN1 (0.47) MAOBS1PR1
SCHEMBL8219724 0.77 TOP2A (0.43) MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9732109-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2017-08-15 US disclosed