SCHEMBL6661757

SCHEMBL6661757

Fc1[c]cccc1-c1cccs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.39
LTK P29376 1/20 0.37
CDK5 Q00535 1/20 0.37
MST1R Q04912 1/20 0.37
DYRK1A Q13627 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
TDO2 P48775 1/20 0.36
KDM4E B2RXH2 5/20 0.35
MAPT P10636 4/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
RAB9A P51151 5/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35

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
SCHEMBL3176511 0.78 LTA4H (0.40) LTA4HLTKCDK5MST1RDYRK1A
SCHEMBL19127528 0.77 KDM4E (0.39) LTA4HLTKCDK5MST1RDYRK1A
SCHEMBL8879879 0.77 LTA4H (0.42) LTA4HLTKCDK5MST1RDYRK1A
SCHEMBL2391838 0.76 RAB9A (0.42) LTA4HKDM4EMAPTALDH1A1HPGD
SCHEMBL995326 0.76 LTA4H (0.55) LTA4HLTKCDK5MST1RDYRK1A
SCHEMBL8163370 0.74 MAPT (0.36) LTA4HKDM4EMAPTALDH1A1HPGD
Hydrogen Sulfide SCHEMBL752785 0.74 LTA4H (0.53) LTA4HLTKCDK5MST1RDYRK1A
SCHEMBL10848415 0.73 MAPT (0.35) LTA4HKDM4EMAPTALDH1A1HPGD
SCHEMBL19127576 0.73 ERN1 (0.40) LTA4HLTKCDK5MST1RDYRK1A
SCHEMBL2391844 0.73 MAPT (0.43) LTA4HKDM4EMAPTALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3402335-A1 USE OF ACTIVE SUBSTANCES FOR CONTROLLING VIRUS INFECTION IN PLANTS Bayer CropScience Aktiengesellschaft (DE) 2018-11-21 EP disclosed
WO-2017121810-A1 USE OF ACTIVE SUBSTANCES FOR CONTROLLING VIRUS INFECTION IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-07-20 WO disclosed
EP-1448201-A2 USE OF N-(INDOLCARBONYL-)PIPERAZINE DERIVATIVES MERCK PATENT GmbH (DE) 2004-08-25 EP disclosed
WO-2003045392-A2 USE OF N-(INDOLCARBONYL-)PIPERAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2003-06-05 WO disclosed
EP-1246803-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES WHICH FUNCTION AS 5-HT 2A? RECEPTOR ANTAGONISTS MERCK PATENT GmbH (DE) 2002-10-09 EP disclosed
EP-1228041-A2 INDOLE DERIVATIVES AND THEIR USE AS 5HT2A LIGANDS MERCK PATENT GmbH (DE) 2002-08-07 EP disclosed
EP-1198453-A2 N-(INDOLCARBONYL-)PIPERAZIN DERIVATIVES MERCK PATENT GmbH (DE) 2002-04-24 EP disclosed
WO-2001051469-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES WHICH FUNCTION AS 5-HT2A RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2001-07-19 WO disclosed
WO-2001007435-A2 N-(INDOLCARBONYL-)PIPERAZIN DERIVATIVES ALS 5-HT2A-RECEPTOR LIGANDS MERCK PATENT GMBH (DE) 2001-02-01 WO disclosed
WO-2001007434-A2 INDOLE DERIVATIVES AND THEIR USE AS 5HT2A LIGANDS MERCK PATENT GMBH (DE) 2001-02-01 WO disclosed