SCHEMBL4282771

SCHEMBL4282771

Cn1ncc(C(F)(F)F)c(CBr)c1=O

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 5/20 0.33
BRD9 Q9H8M2 4/20 0.33
LRRK2 Q5S007 3/20 0.32
TRPA1 O75762 1/20 0.32
MTOR P42345 1/20 0.32
BRD4 O60885 3/20 0.31
BPTF Q12830 4/20 0.31
NTRK1 P04629 1/20 0.30
CYP1A2 P05177 1/20 0.30
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30
P2RX7 Q99572 2/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL4292123 0.77 MAPT (0.36) BRD9LRRK2BRD4MAPT
SCHEMBL4282462 0.75 BRD9 (0.40) KAT2BBRD9LRRK2TRPA1BRD4
SCHEMBL8549796 0.75 MTOR (0.38) KAT2BBRD9MTORBRD4BPTF
SCHEMBL8544138 0.74 BPTF (0.45) KAT2BBRD9BRD4BPTFGAA
SCHEMBL31239670 0.69 TRPA1 (0.37) LRRK2TRPA1NTRK1CYP1A2P2RX7
SCHEMBL4284684 0.68
SCHEMBL4290676 0.67 ALDH1A1 (0.32) MTORMAPT
SCHEMBL22952638 0.67 CYP11B2 (0.39) LRRK2TRPA1NTRK1CYP1A2P2RX7
SCHEMBL24483790 0.66 CYP11B2 (0.45) LRRK2TRPA1NTRK1CYP1A2GAA
SCHEMBL21241219 0.66 LRRK2 (0.45) LRRK2TRPA1CYP1A2P2RX7GAA

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
WO-2009158258-A1 HERBICIDAL DIHYDRO OXO SIX-MEMBERED AZINYL ISOXAZOLINES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-12-30 WO disclosed