SCHEMBL2362819

SCHEMBL2362819

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

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.31
PKM P14618 1/20 0.31

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 0.96 NPC1 (0.32) KDM4EPOLBMAPTKMT2ANPC1
SCHEMBL2364461 0.91 NPC1 (0.32) NPC1PKM
SCHEMBL2362904 0.83 NPC1 (0.31) NPC1PKM
SCHEMBL2362818 0.78 POLB (0.34) KDM4EPOLBMAPTKMT2ANPC1
SCHEMBL3134190 0.77 NPC1 (0.32) NPC1PKM
SCHEMBL18241095 0.76 PKM (0.33) NPC1PKM
SCHEMBL2362709 0.74 PKM (0.35) KMT2ANPC1PKM
SCHEMBL2362832 0.74 NPC1 (0.32) NPC1PKM
SCHEMBL15768037 0.73 KDM4E (0.39) KDM4EMAPTKMT2A
SCHEMBL2364378 0.73 POLB (0.35) KDM4EPOLBMAPTNPC1PKM

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 4 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-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