SCHEMBL9706672

SCHEMBL9706672

CC(C)OC(=O)c1cc(-n2c(=O)c3c(n(C)c2=O)CCC3)c(Cl)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HPGD P15428 3/20 0.33
ALDH1A1 P00352 4/20 0.31
POLB P06746 2/20 0.31
LMNA P02545 1/20 0.31
KDM4E B2RXH2 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HSD17B10 Q99714 2/20 0.30
TSHR P16473 1/20 0.30
MAPT P10636 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL9706651 0.91 PPOX (0.34) SLC6A2SLC6A3HPGDLMNASMN1; SMN2
SCHEMBL9706485 0.91 SLC6A2 (0.34) SLC6A2SLC6A3
SCHEMBL9469456 0.89 SLC6A2 (0.33) SLC6A2SLC6A3HPGDKDM4E
SCHEMBL9706675 0.89 PPOX (0.36) SLC6A2SLC6A3HPGDLMNASMN1; SMN2
SCHEMBL9706680 0.85 LMNA (0.37) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL10647260 0.84 SLC6A2 (0.39) SLC6A2SLC6A3HPGDALDH1A1POLB
SCHEMBL10645208 0.83 KDM4E (0.30) HPGDALDH1A1KDM4EHSD17B10
SCHEMBL10649662 0.83 OPRK1 (0.33) HPGDALDH1A1KDM4EHSD17B10
SCHEMBL9706603 0.82 SLC6A2 (0.37) SLC6A2SLC6A3HPGDALDH1A1POLB
SCHEMBL9706594 0.81 OPRK1 (0.30)

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