SCHEMBL9168637

SCHEMBL9168637

N#CCCCC=Cc1cccc(-c2ccsc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 1/20 0.42
CYP2A6 P11509 3/20 0.37
CYP2B6 P20813 2/20 0.37
CYP2E1 P05181 1/20 0.37
PTPRC P08575 1/20 0.34
CNR1 P21554 1/20 0.34
DRD2 P14416 2/20 0.33
DRD3 P35462 2/20 0.33
HTR1A P08908 1/20 0.33
KCNH2 Q12809 1/20 0.33
ENPP1 P22413 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
DRD4 P21917 1/20 0.32
PELI1 Q96FA3 1/20 0.32
CTSK P43235 1/20 0.31
ERN1 O75460 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 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
SCHEMBL9168627 1.00 PRMT6 (0.42) PRMT6CYP2A6CYP2B6CYP2E1PTPRC
SCHEMBL9254817 0.83 PRMT6 (0.40) PRMT6CYP2A6CYP2B6CYP2E1PTPRC
SCHEMBL9175406 0.83 PRMT6 (0.40) PRMT6CYP2A6CYP2B6CYP2E1PTPRC
SCHEMBL9175394 0.83 PRMT6 (0.40) PRMT6CYP2A6CYP2B6CYP2E1PTPRC
SCHEMBL9176295 0.83 PRMT6 (0.40) PRMT6CYP2A6CYP2B6CYP2E1PTPRC
SCHEMBL9254825 0.83 PRMT6 (0.40) PRMT6CYP2A6CYP2B6CYP2E1PTPRC
SCHEMBL9176304 0.83 PRMT6 (0.40) PRMT6CYP2A6CYP2B6CYP2E1PTPRC
SCHEMBL9259049 0.77 PRMT6 (0.44) PRMT6CYP2A6CYP2B6CYP2E1PTPRC
SCHEMBL9259057 0.77 PRMT6 (0.44) PRMT6CYP2A6CYP2B6CYP2E1PTPRC
SCHEMBL9251449 0.77 PRMT6 (0.44) PRMT6CYP2A6CYP2B6CYP2E1PTPRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5444084-A Anticholesterol, antilipidemic agents BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-08-22 US disclosed
EP-0609448-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVE HAVING SQUALENE EPOXIDASE INHIBITORY EFFECT AND USE THEREOF BANYU PHARMACEUTICAL CO., LTD. (JP) 1994-08-10 EP disclosed