SCHEMBL2364461

SCHEMBL2364461

Cn1nc(C(F)(F)C(F)(F)F)c(Br)c1OC(=O)O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
PKM P14618 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL2364379 0.93 NPC1 (0.32) NPC1PKM
SCHEMBL2362819 0.91 KDM4E (0.35) NPC1PKM
SCHEMBL2362904 0.85 NPC1 (0.31) NPC1PKM
SCHEMBL18241095 0.84 PKM (0.33) NPC1PKML3MBTL1
SCHEMBL2362832 0.82 NPC1 (0.32) NPC1PKML3MBTL1
SCHEMBL2362709 0.82 PKM (0.35) NPC1PKML3MBTL1
SCHEMBL12612226 0.79 NPC1 (0.31) NPC1PKM
SCHEMBL3134190 0.79 NPC1 (0.32) NPC1PKML3MBTL1
SCHEMBL12611761 0.78 PKM (0.42) NPC1PKM
SCHEMBL2364460 0.76 MAPT (0.36) NPC1PKML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2352723-B1 PESTICIDAL N-ARYL- OR N-HETEROARYL PYRAZOLE CARBOXAMIDE COMPOUNDS BAYER IP GMBH (DE) 2016-11-23 EP disclosed
EP-2352723-A2 HALOGEN-SUBSTITUTED COMPOUNDS USED AS PESTICIDES Bayer CropScience AG (DE) 2011-08-10 EP disclosed
WO-2010133312-A1 HALOGEN-SUBSTITUTED COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-11-25 WO disclosed
EP-2253617-A1 Halogenated compounds as pesticides Bayer CropScience AG (DE) 2010-11-24 EP disclosed
WO-2010051926-A2 NEW HALOGEN-SUBSTITUTED BONDS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-05-14 WO disclosed
EP-2184273-A1 Halogen substituted compounds as pesticides Bayer CropScience AG (DE) 2010-05-12 EP disclosed