SCHEMBL11630461

SCHEMBL11630461

CC1(C)COC(c2ccccc2CO)=N1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
ATM Q13315 2/20 0.47
HTT P42858 2/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 2/20 0.41
HRH3 Q9Y5N1 3/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
CYP2D6 P10635 1/20 0.37
IL2 P60568 1/20 0.37
HPGD P15428 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL16508608 0.85 KDM4E (0.51) KDM4EATMHTTALDH1A1LMNA
SCHEMBL18380643 0.84 KDM4E (0.61) KDM4EATMHTTALDH1A1LMNA
SCHEMBL7004170 0.82 KDM4E (0.45) KDM4EATMHTTALDH1A1LMNA
SCHEMBL8853836 0.81 KDM4E (0.47) KDM4EATMHTTALDH1A1LMNA
SCHEMBL8855987 0.81 KDM4E (0.58) KDM4EATMHTTALDH1A1LMNA
SCHEMBL7112634 0.80 KDM4E (0.53) KDM4EATMHTTALDH1A1LMNA
SCHEMBL2089146 0.80 KDM4E (0.53) KDM4EATMHTTALDH1A1LMNA
SCHEMBL4159068 0.78 KDM4E (0.54) KDM4EATMHTTALDH1A1LMNA
SCHEMBL9485334 0.78 KDM4E (0.44) KDM4EATMHTTALDH1A1HRH3
SCHEMBL9791057 0.78 KDM4E (0.44) KDM4EATMHTTALDH1A1HRH3

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
US-4092326-A Process for production of substituted oxazolines IMC CHEMICAL GROUP, INC. (US) 1978-05-30 US disclosed