SCHEMBL31339486

SCHEMBL31339486

Fc1cc(F)cc(-c2cccc(Cl)c2Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.42
CNR2 P34972 6/20 0.41
P2RX7 Q99572 2/20 0.40
NOTUM Q6P988 1/20 0.38
IDO1 P14902 1/20 0.38
CNR1 P21554 1/20 0.37
MET P08581 1/20 0.37
TSHR P16473 1/20 0.37
CYP2A6 P11509 1/20 0.37
CYP2D6 P10635 1/20 0.36
MAOA P21397 1/20 0.36
MAPK1 P28482 1/20 0.36
ADRA1A P35348 1/20 0.36
SCN4A P35499 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
PDE3A Q14432 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
SCN2A Q99250 1/20 0.36

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
SCHEMBL28100186 0.83 CYP2A6 (0.56) METTSHRCYP2A6PDK2
SCHEMBL4456546 0.80 AHR (0.64) AHRCNR2NOTUMIDO1CNR1
SCHEMBL4456479 0.78 AHR (0.45) AHRCNR2NOTUMIDO1CNR1
SCHEMBL31339482 0.76 CNR2 (0.42) AHRCNR2CNR1PDK2
SCHEMBL31339478 0.76 AHR (0.47) AHRCNR2CNR1PDK2
SCHEMBL3873202 0.75 AHR (0.42) AHRCNR2P2RX7NOTUMIDO1
SCHEMBL31062425 0.75 SUCNR1 (0.43) ADRA1A
SCHEMBL440943 0.74 TSHR (0.52) CNR2P2RX7NOTUMIDO1TSHR
SCHEMBL29489437 0.73 CYP2A6 (0.68) CNR2P2RX7NOTUMIDO1TSHR
SCHEMBL1250242 0.73 CYP2A6 (0.68) CNR2P2RX7NOTUMIDO1TSHR

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
CN-119361834-A Electrolyte and battery and electricity utilization device containing same 浙江大学 2025-01-24 CN claimed
CN-119361834-A Electrolyte and battery and electricity utilization device containing same 浙江大学 2025-01-24 CN disclosed