SCHEMBL8963433

SCHEMBL8963433

CC1Cc2c(c(Cl)cc(F)c2-n2c(=O)n3n(c2=O)CCCC3)O1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.34
POLB P06746 2/20 0.33
HPGD P15428 2/20 0.33
AKR1B1 P15121 2/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HTR2A P28223 1/20 0.30
GRM2 Q14416 1/20 0.30
PPOX P50336 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL9781385 0.77 PPOX (0.37) MAOAPPOX
SCHEMBL8924168 0.77 MAOA (0.30) MAOA
SCHEMBL8958808 0.75
SCHEMBL10533426 0.75 PDE4A (0.37) HPGDTSHRMAPTALDH1A1
SCHEMBL9781226 0.75 BRD4 (0.36) MAOAPOLBKDM4EMAPTGRM2
SCHEMBL8757611 0.72 MAOA (0.34) MAOA
SCHEMBL8757488 0.72 PPOX (0.40) PPOX
SCHEMBL9781338 0.71 PPOX (0.35) PPOX
SCHEMBL8389015 0.69 WEE1 (0.33)
SCHEMBL8686849 0.69 DHODH (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0569472-B1 HERBICIDES FOR CITRUS, SUGARCANE, OIL PALM AND THE LIKE DU PONT (US) 1996-06-05 EP claimed
EP-0569472-A1 HERBICIDES FOR CITRUS, SUGARCANE, OIL PALM AND THE LIKE. DU PONT (US) 1993-11-18 EP claimed
WO-1992013453-A1 HERBICIDES FOR CITRUS, SUGARCANE, OIL PALM AND THE LIKE E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-08-20 WO claimed
EP-0569472-B1 HERBICIDES FOR CITRUS, SUGARCANE, OIL PALM AND THE LIKE DU PONT (US) 1996-06-05 EP disclosed
US-5480856-A COMPOUNDS FOR CONTROLLING WEEDS IN CROPS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1996-01-02 US disclosed