SCHEMBL21610429

SCHEMBL21610429

COC1C=C(c2ccccc2)C(=O)N1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.40
NR1H2 P55055 3/20 0.36
NR1H3 Q13133 3/20 0.36
PDE4B Q07343 2/20 0.36
MAPT P10636 3/20 0.35
MAOA P21397 2/20 0.35
MAOB P27338 1/20 0.35
ALOX15 P16050 1/20 0.34
HSD17B3 P37058 1/20 0.33
ALDH1A1 P00352 3/20 0.33
GAA P10253 2/20 0.33
CCR6 P51684 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
PTPN1 P18031 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 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
SCHEMBL20320436 0.82 SLC6A3 (0.39) BACE1NR1H2NR1H3PDE4BMAPT
SCHEMBL20320663 0.77 KDM4E (0.36) MAPTALDH1A1GAAKDM4EMEN1
SCHEMBL20320614 0.75 MAOA (0.37) BACE1NR1H2NR1H3MAPTMAOA
SCHEMBL21610381 0.70
SCHEMBL21610771 0.66
SCHEMBL21610428 0.66 ALDH1A1 (0.32) MAPTALDH1A1
SCHEMBL21610410 0.66
SCHEMBL21610388 0.66
SCHEMBL4008383 0.64 BACE1 (0.39) BACE1PDE4BMAPTMAOAMAOB
SCHEMBL21610390 0.63 PDE4B (0.36) BACE1PDE4BMAPTMAOAMAOB

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
WO-2020002083-A1 SUBSTITUTED HETEROCYCLIC PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2020-01-02 WO disclosed
WO-2020002090-A1 SUBSTITUTED THIAZOLYLPYRROLONES, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2020-01-02 WO disclosed
WO-2020002091-A1 SUBSTITUTED THIAZOLYLPYRROLONES, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2020-01-02 WO disclosed