SCHEMBL21056147

SCHEMBL21056147

COC(=O)c1ncc(C(=O)N(C)c2cccnc2)n1S(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.39
ALDH1A1 P00352 2/20 0.39
TRPV1 Q8NER1 1/20 0.39
GAA P10253 2/20 0.36
HPGD P15428 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
HTT P42858 1/20 0.34
LMNA P02545 1/20 0.33
KMT2A Q03164 4/20 0.33
ALPL P05186 1/20 0.33
MAPT P10636 1/20 0.33
CYP3A4 P08684 1/20 0.33
MLYCD O95822 1/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL19211883 0.84 ALDH1A1 (0.43) NOTUMALDH1A1TRPV1GAAHPGD
SCHEMBL19254992 0.78 TRPV1 (0.39) NOTUMALDH1A1TRPV1GAAHPGD
SCHEMBL19764033 0.76 TRPV1 (0.42) NOTUMTRPV1GAAHPGDL3MBTL1
SCHEMBL19211797 0.74 NOTUM (0.41) NOTUMALDH1A1TRPV1HTTKMT2A
SCHEMBL20718652 0.73 TRPV1 (0.46) NOTUMALDH1A1TRPV1GAAHTT
SCHEMBL20733023 0.73 TRPV1 (0.44) NOTUMTRPV1GAAHPGDHTT
SCHEMBL20732773 0.72 NOTUM (0.47) NOTUMALDH1A1TRPV1GAAHPGD
SCHEMBL19764040 0.72 TRPV1 (0.46) NOTUMTRPV1GAAHPGDHTT
SCHEMBL19764090 0.71 TRPV1 (0.40) NOTUMTRPV1GAAHPGDL3MBTL1
SCHEMBL19254993 0.70 TRPV1 (0.46) NOTUMTRPV1GAAHTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3497101-A1 SUBSTITUTED 2-HETEROCYCLYL IMIDAZOLYL-CARBOXAMIDES AS PEST CONTROL AGENTS Bayer CropScience Aktiengesellschaft (DE) 2019-06-19 EP disclosed