SCHEMBL2553686

SCHEMBL2553686

O=Cc1c(C(F)F)nn(-c2ccc(F)cc2F)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
P2RX7 Q99572 1/20 0.35
OPRM1 P35372 1/20 0.34
CNR1 P21554 9/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CNR2 P34972 5/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32

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
SCHEMBL2561351 0.91 L3MBTL1 (0.38) L3MBTL1P2RX7OPRM1CNR1NPC1
SCHEMBL2552256 0.84 KCNN4 (0.37) L3MBTL1NPC1RAB9AMAPK11MAPK14
SCHEMBL2560689 0.83 L3MBTL1 (0.39) L3MBTL1P2RX7OPRM1CNR1NPC1
SCHEMBL2560528 0.81 OPRM1 (0.46) L3MBTL1P2RX7OPRM1CNR1NPC1
SCHEMBL2559349 0.81 MAPT (0.40) NPC1RAB9A
SCHEMBL15332421 0.80 LMNA (0.39) L3MBTL1OPRM1CNR2
SCHEMBL2557372 0.79 IDO1 (0.37) P2RX7MAPK14
SCHEMBL2561079 0.79 NPC1 (0.40) L3MBTL1OPRM1CNR1NPC1RAB9A
SCHEMBL29923212 0.79 IDO1 (0.37) P2RX7MAPK14
SCHEMBL2554372 0.78 CDK4 (0.36) L3MBTL1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
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
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US 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
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed