SCHEMBL28575589

SCHEMBL28575589

Oc1cc(C(F)F)nn1-c1ccc(F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PTGS2 P35354 1/20 0.36
OPRM1 P35372 1/20 0.36
CNR2 P34972 9/20 0.35
CNR1 P21554 8/20 0.35

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
SCHEMBL28577478 0.76 ESR1 (0.43) NPC1PTGS2
SCHEMBL18693106 0.69 OPRM1 (0.41) L3MBTL1NPC1RAB9AOPRM1CNR2
SCHEMBL1303201 0.68 MARS1 (0.43) CNR2CNR1
SCHEMBL3698011 0.67 MAPT (0.49) L3MBTL1NPC1RAB9ACNR2CNR1
SCHEMBL28574665 0.66 P2RX7 (0.40) L3MBTL1NPC1RAB9ACNR2CNR1
SCHEMBL31125214 0.66 NPC1 (0.51) NPC1RAB9APTGS2
SCHEMBL27031354 0.66 PTGS2 (0.55) PTGS2
SCHEMBL31125205 0.65 ALDH1A1 (0.57) L3MBTL1PTGS2
SCHEMBL3143144 0.65 GLA (0.43) L3MBTL1NPC1RAB9AOPRM1
SCHEMBL10362486 0.64 KDM4E (0.50) L3MBTL1NPC1RAB9AOPRM1

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-112794846-B Ethyl isoxazoline derivative and application thereof 宁夏苏融达化工有限公司 2022-09-20 CN disclosed
CN-112794846-A Ethyl isoxazoline derivative and application thereof 东莞市东阳光农药研发有限公司 2021-05-14 CN disclosed