SCHEMBL9706695

SCHEMBL9706695

Cn1c2c(c(=O)n(-c3ccc(Cl)c(C(=O)OC(C)(C)C)c3)c1=O)CCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.39
THRB P10828 1/20 0.39
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CTSB P07858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GABRA1 P14867 5/20 0.34
GABRG2 P18507 5/20 0.34
GABRB3 P28472 5/20 0.34
GABRA5 P31644 5/20 0.34
GABRA3 P34903 4/20 0.34
GABRA6 Q16445 4/20 0.34
GABRA2 P47869 1/20 0.34
CMA1 P23946 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CNR1 P21554 1/20 0.33

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
SCHEMBL10648522 0.89 KMT2A (0.45) TP53THRBKDM4ESMN1; SMN2CTSB
SCHEMBL10647260 0.86 SLC6A2 (0.39) TP53THRBKDM4ESMN1; SMN2CTSB
SCHEMBL9706591 0.86 KDM4E (0.51) TP53KDM4ESMN1; SMN2KMT2ACMA1
SCHEMBL9706570 0.85 TDP1 (0.50) TP53THRBKDM4ESMN1; SMN2CTSB
SCHEMBL9706603 0.84 SLC6A2 (0.37) TP53THRBKDM4ESMN1; SMN2CTSB
SCHEMBL9706530 0.84 KDM4E (0.48) TP53THRBKDM4ESMN1; SMN2MEN1
SCHEMBL9706652 0.83 TDP1 (0.50) TP53THRBKDM4ESMN1; SMN2CTSB
SCHEMBL9706661 0.82 GABRA1 (0.33) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10649882 0.82 TDP1 (0.49) TP53THRBKDM4ESMN1; SMN2CTSB
SCHEMBL10649877 0.81 TP53 (0.38) TP53THRBKDM4ESMN1; SMN2CTSB

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