SCHEMBL454863

SCHEMBL454863

COCCc1nc(-c2ccsc2)[nH]c(=O)c1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.36
GFER P55789 1/20 0.36
KMT2A Q03164 1/20 0.36
DHODH Q02127 2/20 0.35
PTGES O14684 1/20 0.35
ERCC1 P07992 1/20 0.34
FEN1 P39748 1/20 0.34
ERCC4 Q92889 1/20 0.34
FYN P06241 1/20 0.34
BRD4 O60885 1/20 0.34

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
SCHEMBL454917 0.79 TNKS (0.41) TNKS2SMN1; SMN2DHODH
SCHEMBL1527803 0.74 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL6620626 0.68 ERCC1 (0.68) KDM4EERCC1FEN1ERCC4
SCHEMBL12487639 0.66 SMN1; SMN2 (0.47) TNKS2KDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL3492025 0.66 ALDH1A1 (0.54) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL456753 0.64 RNASEH1 (0.51) TNKS2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL28830672 0.64 TNKS (0.69) WNT3ATNKS2KDM4EALDH1A1HPGD
SCHEMBL14706611 0.64 WNT3A (0.42) WNT3ATNKS2KDM4EDHODHPTGES
SCHEMBL13115287 0.63 CYP2E1 (0.41) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL4520479 0.62 ALDH1A1 (0.55) KDM4EALDH1A1HPGDHSD17B10MEN1

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-2475654-A1 HERBICIDAL PYRIMIDONE DERIVATIVES E. I. du Pont de Nemours and Company (US) 2012-07-18 EP disclosed
WO-2012033548-A2 HERBICIDAL BIS-NITROGEN-CONTAINING OXO AND SULFONO HETEROCYCLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-15 WO disclosed
WO-2011031658-A1 HERBICIDAL PYRIMIDONE DERIVATIVES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-03-17 WO disclosed