SCHEMBL16268639

SCHEMBL16268639

CCOC(=O)c1c(-c2ccnnc2)n[nH]c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ MAPK10 P53779 1/20 0.44
▸ HSD17B10 Q99714 3/20 0.43
▸ HPGD P15428 1/20 0.43
▸ PDE4D Q08499 1/20 0.41
▸ HPGDS O60760 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ MDM2 Q00987 1/20 0.39
▸ PRKCZ Q05513 3/20 0.39
▸ RAB9A P51151 1/20 0.38
▸ CDC7 O00311 2/20 0.38
▸ DBF4 Q9UBU7 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ MPI P34949 1/20 0.38
▸ USP2 O75604 1/20 0.38

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
SCHEMBL25211948 0.86 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL1969117 0.82 HPGDS (0.59) ALDH1A1KMT2ASMN1; SMN2HTTHSD17B10
SCHEMBL16268584 0.80 HTT (0.65) ALDH1A1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL7483303 0.80 KDM4E (0.55) ALDH1A1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL12398411 0.79 SMN1; SMN2 (0.66) ALDH1A1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL10922835 0.77 SMN1; SMN2 (0.40) ALDH1A1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL10921232 0.75 CDC7 (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL10928298 0.75 KDM4E (0.49) ALDH1A1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL10921548 0.74 TDP2 (0.42) ALDH1A1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL10922551 0.74 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2HTT

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
EP-3003042-A1 HETEROCYCLIC COMPOUNDS AS PEST CONTROL AGENTS Bayer CropScience Aktiengesellschaft (DE) 2016-04-13 — — EP disclosed
WO-2014191301-A1 HETEROCYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AG (DE) 2014-12-04 — — WO disclosed
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