SCHEMBL29137880

SCHEMBL29137880

O=C(O)c1c[nH]c2c(OCCCO)c(F)c(F)cc2c1=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 5/20 0.44
PRKAG1 P54619 5/20 0.44
PRKAA2 P54646 5/20 0.44
PRKAA1 Q13131 5/20 0.44
PRKAG3 Q9UGI9 5/20 0.44
PRKAG2 Q9UGJ0 5/20 0.44
PRKAB1 Q9Y478 5/20 0.44
KDM4E B2RXH2 2/20 0.40
HTT P42858 1/20 0.40
CSNK2A2 P19784 3/20 0.39
CSNK2B P67870 3/20 0.39
CSNK2A1 P68400 3/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
CYP1A2 P05177 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL29137881 0.81 ALDH1A1 (0.39) KDM4EHTTCSNK2A2CSNK2BCSNK2A1
SCHEMBL30361027 0.81 ALDH1A1 (0.39) KDM4EHTTCSNK2A2CSNK2BCSNK2A1
SCHEMBL8736382 0.79 KDM4E (0.43) KDM4EHTTCSNK2A2CSNK2BCSNK2A1
SCHEMBL9535556 0.78 ALDH1A1 (0.48) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL1878010 0.78 KDM4E (0.51) KDM4ECSNK2A2CSNK2BCSNK2A1ALDH1A1
SCHEMBL6248866 0.77 PRKAB2 (0.40) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL30307775 0.75 KDM4E (0.49) KDM4EHTTCSNK2A2CSNK2BCSNK2A1
SCHEMBL13484134 0.74 CSNK2A1 (0.56) KDM4EHTTCSNK2A2CSNK2BCSNK2A1
SCHEMBL10760134 0.74 KDM4E (0.45) KDM4EHTTCSNK2A2CSNK2BCSNK2A1
SCHEMBL10932175 0.72 KDM4E (0.41) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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-115850297-A Synthetic method of sarin antibiotic drug intermediate 常州兰陵制药有限公司 2023-03-28 CN claimed
CN-115850297-A Synthetic method of sarin antibiotic drug intermediate 常州兰陵制药有限公司 2023-03-28 CN disclosed