SCHEMBL28838573

SCHEMBL28838573

CCOCn1c(-c2ccc(Cl)cc2)cc(Br)c1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.36
PTGS2 P35354 8/20 0.35
PTGS1 P23219 5/20 0.35
NPSR1 Q6W5P4 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
THPO P40225 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
HIF1A Q16665 1/20 0.34
PDPK1 O15530 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
APOBEC3G Q9HC16 1/20 0.32
CYP2D6 P10635 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL8799594 0.86 PTGS2 (0.35) CHRNA7PTGS2PTGS1NPSR1CYP1A2
SCHEMBL8799002 0.76 MEN1 (0.34) PTGS2PTGS1APOBEC3G
SCHEMBL9220849 0.74 MAPK14 (0.33) PTGS2PTGS1MAPTAPOBEC3G
SCHEMBL8664041 0.72 MEN1 (0.32)
Chlorfenapyr SCHEMBL40337 0.72 RXFP1 (0.35) MAPTHTTKDM4E
SCHEMBL7784780 0.72 PTGS1 (0.37) CHRNA7PTGS2PTGS1NPSR1CYP3A4
SCHEMBL9257392 0.72 MEN1 (0.35) APOBEC3G
SCHEMBL8986682 0.72 MEN1 (0.36)
Chlorfenapyr SCHEMBL28530561 0.72 RXFP1 (0.35) MAPTHTTKDM4E
SCHEMBL8986687 0.72 KMT2A (0.43) PTGS2MAPTSMN1; SMN2KDM4EXBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106348849-A Pesticide fertilizer granules 赖丰光 2017-01-25 CN disclosed