SCHEMBL8963468

SCHEMBL8963468

O=c1c(OC(F)F)c(Br)cnn1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 2/20 0.47
ALDH1A1 P00352 4/20 0.46
HTT P42858 4/20 0.46
HSD17B10 Q99714 1/20 0.46
PTGS2 P35354 3/20 0.46
NPSR1 Q6W5P4 3/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 2/20 0.42
PPARG P37231 2/20 0.42
NCOA2 Q15596 2/20 0.42
NCOA1 Q15788 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NR2E3 Q9Y5X4 1/20 0.42
PKM P14618 2/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
TSHR P16473 1/20 0.41
PTGS1 P23219 2/20 0.40

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
SCHEMBL4184723 0.82 ALDH1A1 (0.62) NPBWR1ALDH1A1HTTHSD17B10PTGS2
SCHEMBL4047300 0.78 ALDH1A1 (0.54) NPBWR1ALDH1A1HTTHSD17B10PTGS2
Benzyl Bromide SCHEMBL7816396 0.73 ALDH1A1 (0.49) NPBWR1ALDH1A1HTTHSD17B10PTGS2
SCHEMBL6604659 0.70 PFKFB3 (0.52) NPBWR1ALDH1A1HTTHSD17B10PTGS2
SCHEMBL4383612 0.70 NPBWR1 (0.75) NPBWR1ALDH1A1HTTHSD17B10NPSR1
SCHEMBL23535857 0.69 NPBWR1 (0.67) NPBWR1PKM
SCHEMBL4178254 0.69 ALDH1A1 (0.61) NPBWR1ALDH1A1HTTHSD17B10NPSR1
SCHEMBL6232624 0.69 MAPK14 (0.67) NPBWR1ALDH1A1HTTHSD17B10NR2E3
SCHEMBL6378489 0.69 NPBWR1 (0.54) NPBWR1ALDH1A1HTTHSD17B10PTGS2
SCHEMBL17397366 0.68 TSHR (0.56) ALDH1A1HTTHSD17B10NPSR1LMNA

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
JP-8198855-A None JP disclosed
JP-H08198855-A PYRIDAZINONE DERIVATIVE AND VERMIN CONTROLLING AGENT NISSAN CHEM IND LTD 1996-08-06 JP disclosed