SCHEMBL25021283

SCHEMBL25021283

COc1ccnc(C(=S)N[C@@H](C)C(=O)OC(C)[C@H](C)C2CCCC2)c1OC(C)=O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ MAPK1 P28482 1/20 0.32
▸ KIT P10721 3/20 0.32
▸ PDGFRA P16234 3/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ CASP6 P55212 1/20 0.30
▸ GSK3A P49840 1/20 0.30
▸ GSK3B P49841 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL21339315 1.00 ALDH1A1 (0.33) ALDH1A1NPSR1MAPK1KITPDGFRA
SCHEMBL21338931 0.91 ALDH1A1 (0.34) ALDH1A1NPSR1MAPK1KITPDGFRA
SCHEMBL21339189 0.91 ALDH1A1 (0.34) ALDH1A1NPSR1MAPK1KITPDGFRA
SCHEMBL21338935 0.91 ALDH1A1 (0.34) ALDH1A1NPSR1MAPK1KITPDGFRA
SCHEMBL20352659 0.89 TSHR (0.34) ALDH1A1NPSR1MAPK1KMT2A
SCHEMBL29443131 0.89 TSHR (0.34) ALDH1A1NPSR1MAPK1KMT2A
SCHEMBL20352837 0.89 TSHR (0.34) ALDH1A1NPSR1MAPK1KMT2A
SCHEMBL25022987 0.86 ALDH1A1 (0.35) ALDH1A1NPSR1KITPDGFRASMN1; SMN2
SCHEMBL21339079 0.86 ALDH1A1 (0.35) ALDH1A1NPSR1KITPDGFRASMN1; SMN2
SCHEMBL19910907 0.86 HTT (0.31) MAPK1KITPDGFRA

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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