SCHEMBL10489596

SCHEMBL10489596

Cc1c(-c2ccc(Cl)cc2)sc(N)c1C(=O)OC(C)(C)C

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM6 O15303 8/20 0.76
TP53 P04637 8/20 0.55
MDM2 Q00987 8/20 0.55
GRM5 P41594 1/20 0.54
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
GAA P10253 1/20 0.52
HPGD P15428 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
CISD2 Q8N5K1 1/20 0.46
PRKCZ Q05513 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
XBP1 P17861 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL6157860 0.85 TP53 (0.75) GRM6TP53MDM2GRM5ALDH1A1
SCHEMBL10489599 0.84 GRM6 (0.54) GRM6TP53MDM2ALDH1A1MAPT
SCHEMBL10489630 0.84 GRM6 (0.71) GRM6TP53MDM2GRM5ALDH1A1
SCHEMBL4095490 0.83 TP53 (0.56) GRM6TP53MDM2GRM5ALDH1A1
SCHEMBL25758961 0.83 GRM6 (0.76) GRM6TP53MDM2GRM5ALDH1A1
SCHEMBL10489614 0.82 TP53 (0.55) GRM6TP53MDM2ALDH1A1MAPT
SCHEMBL1899041 0.76 PRKCZ (0.70) GRM6ALDH1A1MAPTGAAHPGD
SCHEMBL6613252 0.74 TP53 (0.53) GRM6TP53MDM2GRM5ALDH1A1
SCHEMBL10633454 0.74 GRM6 (0.60) GRM6GRM5ALDH1A1MAPTGAA
SCHEMBL6159255 0.72 GRM6 (0.78) GRM6TP53MDM2GRM5ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4859699-A Substituted N-benzoyl-N'-thienylureas SANDOZ LTD. (CH) 1989-08-22 US disclosed
EP-0300972-A1 Substituted N-benzoyl-N'-thienyl ureas, and their use as insecticides SANDOZ AG (CH) 1989-01-25 EP disclosed