SCHEMBL25022987

SCHEMBL25022987

COc1ccnc(C(=S)N[C@@H](C)C(=O)OC(C)[C@H](C)C2CCCC2)c1O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ PTPN7 P35236 2/20 0.34
▸ DUSP3 P51452 2/20 0.34
▸ HPGD P15428 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ STS P08842 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CASP6 P55212 1/20 0.32
▸ KIT P10721 3/20 0.32
▸ PDGFRA P16234 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ APOBEC3G Q9HC16 1/20 0.31
▸ MET P08581 1/20 0.31
▸ PDE4A P27815 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4C Q08493 1/20 0.31
▸ PDE4D Q08499 1/20 0.31

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
SCHEMBL21339079 1.00 ALDH1A1 (0.35) ALDH1A1NPSR1PTPN7DUSP3HPGD
SCHEMBL21338917 0.91 ALDH1A1 (0.36) ALDH1A1NPSR1HPGDLMNASMN1; SMN2
SCHEMBL21338918 0.91 ALDH1A1 (0.36) ALDH1A1NPSR1HPGDLMNASMN1; SMN2
SCHEMBL21339276 0.91 ALDH1A1 (0.36) ALDH1A1NPSR1HPGDLMNASMN1; SMN2
SCHEMBL20352650 0.89 ALDH1A1 (0.35) ALDH1A1NPSR1LMNAKDM4EMET
SCHEMBL20352628 0.89 ALDH1A1 (0.35) ALDH1A1NPSR1LMNAKDM4EMET
SCHEMBL29443149 0.89 ALDH1A1 (0.35) ALDH1A1NPSR1LMNAKDM4EMET
SCHEMBL21339315 0.86 ALDH1A1 (0.33) ALDH1A1NPSR1SMN1; SMN2CASP6KIT
SCHEMBL25021283 0.86 ALDH1A1 (0.33) ALDH1A1NPSR1SMN1; SMN2CASP6KIT
SCHEMBL19910872 0.86 NR3C1 (0.32) ALDH1A1NPSR1HPGDLMNAMAPT

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-3565410-B1 PICOLINAMIDES AS FUNGICIDES CORTEVA AGRISCIENCE LLC (US) 2023-02-15 — — EP disclosed
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