SCHEMBL9607486

SCHEMBL9607486

CC1(C)COC(c2ccc(F)cc2N)=N1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.46
KDM4E B2RXH2 1/20 0.44
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
ABL1 P00519 1/20 0.37
IL2 P60568 1/20 0.35
ALDH1A1 P00352 2/20 0.35
GRM2 Q14416 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
SCHEMBL9330422 0.84 ATM (0.48) ATMKDM4EHTTLMNAMAPT
SCHEMBL8818334 0.82 ATM (0.49) ATMKDM4EHTTLMNAMAPT
SCHEMBL499545 0.82 ATM (0.46) ATMKDM4EHTTLMNAMAPT
SCHEMBL11836656 0.82 ATM (0.58) ATMKDM4EHTTLMNAMAPT
SCHEMBL9330931 0.81 ATM (0.51) ATMKDM4EHTTLMNAMAPT
SCHEMBL9607357 0.81 KDM4E (0.41) ATMKDM4EHTTLMNAMAPT
SCHEMBL10441956 0.81 ATM (0.48) ATMKDM4EHTTLMNAMAPT
SCHEMBL8819228 0.79 ATM (0.45) ATMKDM4EHTTLMNAMAPT
SCHEMBL8553034 0.79 ATM (0.45) ATMKDM4EHTTLMNAMAPT
SCHEMBL9607174 0.79 KDM4E (0.42) KDM4EMAPTALDH1A1

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
WO-2012069856-A1 ANTIMALARIAL COMPOUNDS LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2012-05-31 WO disclosed