SCHEMBL29443149

SCHEMBL29443149

COc1ccnc(C(=S)N[C@@H](C)C(=O)O[C@@H](C)[C@@H](c2ccccc2)C2CCCC2)c1O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.34
▸ EPHX1 P07099 2/20 0.33
▸ C3AR1 Q16581 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MET P08581 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ ADRA1D P25100 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ ADRA1B P35368 1/20 0.32
▸ ALK Q9UM73 2/20 0.32
▸ IGF1R P08069 1/20 0.32
▸ SLC6A3 Q01959 2/20 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
SCHEMBL20352650 1.00 ALDH1A1 (0.35) ALDH1A1MEN1MAPK1KMT2ANPSR1
SCHEMBL20352628 1.00 ALDH1A1 (0.35) ALDH1A1MEN1MAPK1KMT2ANPSR1
SCHEMBL29443134 0.92 ALDH1A1 (0.37) ALDH1A1MEN1MAPK1KMT2ANPSR1
SCHEMBL20352629 0.92 ALDH1A1 (0.37) ALDH1A1MEN1MAPK1KMT2ANPSR1
SCHEMBL20352933 0.92 ALDH1A1 (0.37) ALDH1A1MEN1MAPK1KMT2ANPSR1
SCHEMBL25022987 0.89 ALDH1A1 (0.35) ALDH1A1NPSR1LMNAMETKDM4E
SCHEMBL21339079 0.89 ALDH1A1 (0.35) ALDH1A1NPSR1LMNAMETKDM4E
SCHEMBL20352837 0.88 TSHR (0.34) ALDH1A1MEN1MAPK1KMT2ANPSR1
SCHEMBL20352659 0.88 TSHR (0.34) ALDH1A1MEN1MAPK1KMT2ANPSR1
SCHEMBL29443131 0.88 TSHR (0.34) ALDH1A1MEN1MAPK1KMT2ANPSR1

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
CN-110352006-B Picolinamides as fungicides 美国陶氏益农公司 2022-02-18 — — CN disclosed
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