SCHEMBL9706613

SCHEMBL9706613

CC(C)OC(=O)c1cc(-n2c(=O)[nH]c3c(c2=O)CCCC3)c(F)cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPOX P50336 3/20 0.36
HPGD P15428 4/20 0.34
MAPT P10636 3/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL9706578 0.98 TSHR (0.34) PPOXHPGDMAPTLMNASMN1; SMN2
SCHEMBL10647008 0.89 TSHR (0.36) HPGDMAPTLMNASMN1; SMN2TSHR
SCHEMBL10646014 0.89 TSHR (0.36) HPGDMAPTLMNATSHRKDM4E
SCHEMBL9706605 0.86 TSHR (0.34) HPGDMAPTLMNATSHRKDM4E
SCHEMBL9706610 0.85 HPGD (0.31) PPOXHPGDMAPTLMNASMN1; SMN2
SCHEMBL9706536 0.84 HPGD (0.38) HPGDMAPTLMNASMN1; SMN2TSHR
SCHEMBL11018431 0.84 MEN1 (0.38) PPOXHPGDMAPTLMNASMN1; SMN2
SCHEMBL10647215 0.83 LMNA (0.33) PPOXHPGDMAPTLMNASMN1; SMN2
SCHEMBL10645379 0.83 KDM4E (0.32) PPOXHPGDMAPTLMNASMN1; SMN2
SCHEMBL10580295 0.83 PPOX (0.53) PPOXHPGDMAPTLMNATSHR

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 3 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-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