SCHEMBL4288063

SCHEMBL4288063

O=Cc1c(C(F)(F)F)cnc(OCc2ccccc2)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
MRGPRX4 Q96LA9 3/20 0.37
AR P10275 4/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
ALDH1A1 P00352 1/20 0.36
FEN1 P39748 1/20 0.35
PTGER1 P34995 1/20 0.35
PIN1 Q13526 1/20 0.34

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
SCHEMBL6741566 0.80 L3MBTL1 (0.43) L3MBTL1MAPTSMN1; SMN2RXRARXRB
SCHEMBL4284736 0.78 RXRA (0.40) L3MBTL1RXRARXRBRXRGMRGPRX4
SCHEMBL4295097 0.77 RXRA (0.36) L3MBTL1RXRARXRBRXRGMRGPRX4
SCHEMBL29346260 0.76 AR (0.42) L3MBTL1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL25367567 0.73 RAB9A (0.40) L3MBTL1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL29493859 0.73 RAB9A (0.40) L3MBTL1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL6740837 0.70 L3MBTL1 (0.42) L3MBTL1MAPTRXRARXRBRXRG
SCHEMBL6739678 0.70 MRGPRX4 (0.49) RXRARXRBRXRGMRGPRX4ALDH1A1
SCHEMBL25344432 0.70 CA1 (0.46) L3MBTL1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL24968170 0.70 MAOB (0.43) L3MBTL1RXRARXRBRXRGMRGPRX4

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