SCHEMBL6682355

SCHEMBL6682355

Clc1cc[c]c(-c2ccccc2Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.40
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HPGD P15428 2/20 0.35
TP53 P04637 1/20 0.35
LMNA P02545 2/20 0.35
TSHR P16473 1/20 0.35
DPP4 P27487 1/20 0.34
S100A4 P26447 1/20 0.34
PLA2G7 Q13093 1/20 0.34
PTPN1 P18031 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
HSD11B1 P28845 1/20 0.33
GPR3 P46089 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL435005 0.82 AHR (0.45) NPC1RAB9ASMN1; SMN2HPGDTP53
SCHEMBL4438343 0.82 TP53 (0.41) RAB9ASMN1; SMN2HPGDTP53LMNA
SCHEMBL432357 0.81 GABRP (0.41) NPC1RAB9ASMN1; SMN2HPGDLMNA
SCHEMBL9523594 0.81 NPC1 (0.40) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL8662652 0.81 MAPK1 (0.38) NPC1RAB9ASMN1; SMN2HPGDTP53
SCHEMBL14976825 0.81 C1R (0.36) S100A4GPR3
SCHEMBL9138237 0.81 HSD11B1 (0.41) CYP2A6NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL7839044 0.81 PLA2G7 (0.40) CYP2A6NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL8416356 0.80 HSD11B1 (0.42) CYP2A6TP53HSD11B1GPR3STK10
SCHEMBL7465625 0.79 CYP2A6 (0.50) CYP2A6NPC1RAB9ASMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0844819-A1 FUNGICIDAL MIXTURES OF AN OXIME ETHER CARBOXYLIC ACID AMIDE WITH FENARIMOL BASF AKTIENGESELLSCHAFT (DE) 1998-06-03 EP claimed
WO-1997006680-A1 FUNGICIDAL MIXTURES OF AN OXIME ETHER CARBOXYLIC ACID AMIDE WITH FENARIMOL BASF AKTIENGESELLSCHAFT (DE) 1997-02-27 WO claimed
EP-2782565-A1 USE OF ARYL AND HETARYL CARBOXAMIDES AS ENDOPARASITICIDES Bayer Intellectual Property GmbH (DE) 2014-10-01 EP disclosed
WO-2013076230-A1 USE OF ARYL AND HETARYL CARBOXAMIDES AS ENDOPARASITICIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-30 WO disclosed
WO-2004065350-A1 TERTIARY AMINO ACIDS, THEIR PRODUCTION AND USE MEDIGENE AKTIENGESELLSCHAFT (DE) 2004-08-05 WO disclosed
US-5466821-A Triazole ring containing fungicides, intermediates ZENECA LIMITED (GB) 1995-11-14 US disclosed
US-5395942-A Fungicides for plants ZENECA LIMITED (GB) 1995-03-07 US disclosed
US-5204363-A Plant fungicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-04-20 US disclosed
US-5004494-A Fungicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-04-02 US disclosed
US-4231741-A BENZOXAZOLYL-STILBENES AND ARYLTRIAZOLES; SYNERGISTIC HOECHST AKTIENGESELLSCHAFT (DE) 1980-11-04 US disclosed
US-4150158-A Oxadiazindione derivatives useful as insecticides IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-04-17 US disclosed