SCHEMBL9706676

SCHEMBL9706676

Cc1cc(=O)n(-c2cc(C(=O)OC(C)C)c(Cl)cc2F)c(=O)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 5/20 0.35
MAPT P10636 3/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 2/20 0.35
PKM P14618 1/20 0.35
BCAT1 P54687 6/20 0.35
BCAT2 O15382 5/20 0.35
HSD17B10 Q99714 3/20 0.34
TSHR P16473 2/20 0.33
PPOX P50336 1/20 0.32
POLB P06746 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
MEN1 O00255 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL9796342 0.86 BCAT1 (0.50) BCAT1BCAT2
SCHEMBL10645885 0.86 MAPT (0.35) SMN1; SMN2ALDH1A1MAPTHPGDKDM4E
SCHEMBL9423268 0.86 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1MAPTHPGDBCAT1
SCHEMBL9706535 0.84 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1MAPTHPGDKDM4E
SCHEMBL9706686 0.84 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1MAPTHPGDKDM4E
SCHEMBL9706691 0.84 MAPT (0.34) SMN1; SMN2ALDH1A1MAPTHPGDKDM4E
SCHEMBL10530802 0.84 BCAT1 (0.41) SMN1; SMN2ALDH1A1MAPTHPGDKDM4E
SCHEMBL9706539 0.83 SMN1; SMN2 (0.45) SMN1; SMN2MAPTHPGDBCAT1BCAT2
SCHEMBL10644543 0.83 ALDH1A1 (0.34) SMN1; SMN2ALDH1A1MAPTHPGDKDM4E
SCHEMBL10645636 0.83 ALDH1A1 (0.34) SMN1; SMN2ALDH1A1MAPTHPGDKDM4E

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-0195346-B1 3-ARYL URACILES AND THEIR USE AS HERBICIDES CIBA-GEIGY AG (CH) 1992-06-24 EP claimed
US-5041156-A 3-aryluracils for the control of weeds CIBA-GEIGY CORPORATION (US) 1991-08-20 US disclosed
US-4941909-A HERBICIDES, PYRIMIDONE BENZOATES HOFFMANN-LA ROCHE INC. (US) 1990-07-17 US disclosed
US-4760163-A 3-(5-carboxy-4-substituted-phenyl)-(thio)uracil-esters and salts HOFFMANN-LAROCHE INC. (US) 1988-07-26 US disclosed
US-4746352-A HERBICIDES HOFFMANN-LA ROCHE INC. (US) 1988-05-24 US disclosed