SCHEMBL11539348

SCHEMBL11539348

Cc1coc2c(Br)cc(Br)cc2c1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.61
NQO1 P15559 1/20 0.37
CSNK2A2 P19784 2/20 0.37
CSNK2B P67870 2/20 0.37
CSNK2A1 P68400 2/20 0.37
CSNK2A3 Q8NEV1 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
ALDH1A1 P00352 3/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
MAOB P27338 2/20 0.34
EGFR P00533 1/20 0.34
RAB9A P51151 1/20 0.33
ALDH2 P05091 1/20 0.33
KCNA3 P22001 1/20 0.32
KDM4E B2RXH2 2/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL31035604 0.86 PTPN1 (0.45) PTPN1CSNK2A2CSNK2BCSNK2A1ESR1
SCHEMBL5358403 0.76 PTPN1 (1.00) PTPN1NQO1CSNK2A2CSNK2BCSNK2A1
SCHEMBL31298110 0.72 PTPN1 (0.43) PTPN1MAPT
SCHEMBL26104769 0.72 PTPN1 (0.43) PTPN1MAPT
SCHEMBL28792827 0.72 PTPN1 (0.54) PTPN1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL17734362 0.71 PTPN1 (0.61) PTPN1CSNK2A2CSNK2BCSNK2A1ALDH1A1
SCHEMBL29503837 0.70 MAPT (0.55) PTPN1ALDH1A1MAPTHPGDMAOB
SCHEMBL28442550 0.70 MAPT (0.55) PTPN1ALDH1A1MAPTHPGDMAOB
SCHEMBL24912992 0.69 PTPN1 (0.43) PTPN1CSNK2A2CSNK2BCSNK2A1ESR1
SCHEMBL8171800 0.68 PTPN1 (0.61) PTPN1CSNK2A2CSNK2BCSNK2A1CSNK2A3

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
US-4153707-A Fungicidal isoxazolyl phenols and method of use THE UPJOHN COMPANY (US) 1979-05-08 US disclosed