SCHEMBL2053601

SCHEMBL2053601

Fc1cccc(F)c1-c1ccc[c]c1Cl

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
NPC1 O15118 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PDK2 Q15119 1/20 0.33
TTR P02766 1/20 0.32
SMARCA2 P51531 1/20 0.31
SMARCA4 P51532 1/20 0.31
PBRM1 Q86U86 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
SCHEMBL17514882 0.85 PDK2 (0.30) PDK2
SCHEMBL2433233 0.82 EIF4E (0.34) NPC1CASP3RAB9ASENP8SENP7
SCHEMBL17514605 0.82 CHRM5 (0.30)
SCHEMBL17514725 0.82 PDK2 (0.31) PDK2
SCHEMBL432734 0.82 PTPRC (0.35) NPC1L3MBTL1
SCHEMBL15637100 0.80 L3MBTL1 (0.41) NPC1RAB9AL3MBTL1PDK2TTR
SCHEMBL15636749 0.79 CA1 (0.37) CA1CA2CA7CA9PDK2
SCHEMBL15635850 0.79 CYP2A6 (0.33) PDK2
SCHEMBL11322289 0.78 NPC1 (0.33) CA1CA2CA7CA9NPC1
SCHEMBL68590 0.78

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
EP-3126335-A1 N-(1-(HETERO)ARYL-1H-PYRAZOL-4-YL)-(HETERO)ARYLAMIDE DERIVATIVES AND USE THEREOF AS PESTICIDES Bayer CropScience Aktiengesellschaft (DE) 2017-02-08 EP disclosed
WO-2015150300-A1 N-(1-(HETERO)ARYL-1H-PYRAZOL-4-YL)-(HETERO)ARYLAMIDE DERIVATIVES AND USE THEREOF AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2015-10-08 WO disclosed
EP-2903440-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES Bayer CropScience AG (DE) 2015-08-12 EP disclosed
WO-2014053450-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2014-04-10 WO disclosed
WO-2013182433-A1 A PROCESS USING GRIGNARD REAGENTS BASF SE (DE) 2013-12-12 WO disclosed
EP-2547687-A1 A PROCESS USING GRIGNARD REAGENTS BASF SE (DE) 2013-01-23 EP disclosed
EP-2513067-A1 METHOD FOR PRODUCING TRIAZOLINTHIONE DERIVATIVES AND INTERMEDIATES THEREOF BASF SE (DE) 2012-10-24 EP disclosed
WO-2011113820-A1 A PROCESS USING GRIGNARD REAGENTS BASF SE (DE) 2011-09-22 WO disclosed
WO-2011073145-A1 METHOD FOR PRODUCING TRIAZOLINTHIONE DERIVATIVES AND INTERMEDIATES THEREOF BASF SE (DE) 2011-06-23 WO disclosed