SCHEMBL27968694

SCHEMBL27968694

COC(=O)c1ccccc1N(C)O[SH](=O)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.56
▸ TSHR P16473 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ CFTR P13569 1/20 0.46
▸ KDM4E B2RXH2 3/20 0.45
▸ POLB P06746 1/20 0.45
▸ ATM Q13315 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MAPT P10636 2/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA5A P35218 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ GAA P10253 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ SLC6A3 Q01959 2/20 0.41

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
SCHEMBL28122542 0.83 ALDH1A1 (0.43) KMT2ATSHRLMNAALDH1A1HSD17B10
SCHEMBL27396814 0.80 NR4A2 (0.41) KMT2AALDH1A1HSD17B10KDM4EATM
SCHEMBL29408467 0.79 KMT2A (0.67) KMT2ATSHRLMNAALDH1A1HSD17B10
SCHEMBL43644 0.79 KMT2A (0.67) KMT2ATSHRLMNAALDH1A1HSD17B10
SCHEMBL4444645 0.79 KMT2A (0.67) KMT2ATSHRLMNAALDH1A1HSD17B10
SCHEMBL29271836 0.78 KMT2A (0.65) KMT2ATSHRLMNAALDH1A1HSD17B10
SCHEMBL30492227 0.77 KMT2A (0.64) KMT2ATSHRLMNAALDH1A1HSD17B10
SCHEMBL13066502 0.77 KMT2A (0.64) KMT2ATSHRLMNAALDH1A1HSD17B10
SCHEMBL28409026 0.75 KMT2A (0.61) KMT2ATSHRLMNAALDH1A1HSD17B10
SCHEMBL25271509 0.74 KMT2A (0.53) KMT2ATSHRLMNAALDH1A1HSD17B10

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
CN-103827088-B It is used as the derivative of the pyridyl alkyl alcohol of 1 phenyl 2 of phosphodiesterase inhibitors 奇斯药制品公司 2017-10-13 — — CN disclosed
CN-103827088-A Derivatives of 1-phenyl-2-pyridinyl alkyl alcohols as phosphodiesterase inhibitors CHIESI FARMA SPA 2014-05-28 — — CN disclosed
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