SCHEMBL28440264

SCHEMBL28440264

COC(C)c1c(C(=O)O)c(=O)c2cc(F)c(F)cc2n1C1CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.38
GSK3A P49840 2/20 0.38
GSK3B P49841 2/20 0.38
PIM3 Q86V86 2/20 0.38
PRKD3 O94806 1/20 0.38
IRAK1 P51617 1/20 0.38
RPS6KA3 P51812 1/20 0.38
DYRK1A Q13627 1/20 0.38
CSNK1G3 Q9Y6M4 1/20 0.38
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 3/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MAPT P10636 1/20 0.35
CYP1A2 P05177 1/20 0.34
TOP2A P11388 1/20 0.34
CYP2C9 P11712 1/20 0.34
TOP2B Q02880 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL9014024 0.77 PRKD3 (0.40) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL29023850 0.76 KDM4E (0.41) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL9715578 0.68 KDM4E (0.39) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL9216084 0.68 KMT2A (0.45) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL10574880 0.67 KDM4E (0.41) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL3004295 0.67 LMNA (0.56) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL10976694 0.67 ALDH1A1 (0.36) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9457406 0.67 PRKD3 (0.47) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL5908346 0.67 KMT2A (0.43) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL8540093 0.67 KCNH2 (0.41) PIM1GSK3AGSK3BPIM3PRKD3

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-111320581-A Synthesis method of quinoline carboxylic ester 山东省联合农药工业有限公司 2020-06-23 CN disclosed