SCHEMBL28600246

SCHEMBL28600246

N#Cc1c(C(F)(F)F)cc(C2CCCC2)[nH]c1=O

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.89
GAA P10253 13/20 0.89
KDM4E B2RXH2 13/20 0.89
GLA P06280 12/20 0.89
HPGD P15428 10/20 0.89
POLB P06746 1/20 0.89
HSD17B10 Q99714 1/20 0.89
TP53 P04637 1/20 0.56
ATM Q13315 1/20 0.51
KMT2A Q03164 5/20 0.49
HTT P42858 3/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 4/20 0.48
LMNA P02545 3/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
PIM1 P11309 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
JAK2 O60674 1/20 0.40

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
SCHEMBL19583331 0.77 KDM4E (0.69) ALDH1A1GAAKDM4EGLAHPGD
SCHEMBL2591174 0.75 KDM4E (0.55) ALDH1A1GAAKDM4EGLAHPGD
SCHEMBL562812 0.72 KDM4E (1.00) ALDH1A1GAAKDM4EGLAHPGD
SCHEMBL1694956 0.71 KDM4E (0.61) ALDH1A1GAAKDM4EGLAHPGD
SCHEMBL2201597 0.70 RAPGEF4 (0.48) ALDH1A1GAAKDM4EGLAHPGD
SCHEMBL8401181 0.68 PIM1 (0.57) ALDH1A1GAAKDM4EGLAHPGD
SCHEMBL15500490 0.68 KDM4E (0.44) ALDH1A1GAAKDM4EGLAHPGD
SCHEMBL10818228 0.68 KDM4E (0.57) ALDH1A1GAAKDM4EGLAHPGD
SCHEMBL23683888 0.67 KDM4E (0.64) ALDH1A1GAAKDM4EGLAHPGD
SCHEMBL2201206 0.67 PIM1 (0.47) ALDH1A1GAAKDM4EGLAHPGD

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-109928983-B 2-oxadiazole-3-aminothieno [2,3-b ] pyridine derivative and preparation method and application thereof 四川大学 2021-06-29 CN disclosed