SCHEMBL9750576

SCHEMBL9750576

CCOC(=O)c1oc(N(c2ccccc2)C(C)C)nc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.39
HPGD P15428 4/20 0.39
ALDH1A1 P00352 4/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
HSD17B10 Q99714 2/20 0.38
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 1/20 0.37
TSHR P16473 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
TARBP2 Q15633 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.36
P2RY12 Q9H244 1/20 0.36
AHR P35869 1/20 0.36
RAB9A P51151 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL9750592 0.85 KDM4E (0.42) KDM4EHPGDALDH1A1CYP1A2CYP2C9
SCHEMBL9750626 0.80 KDM4E (0.43) KDM4EHPGDALDH1A1CYP1A2CYP2C9
SCHEMBL9750597 0.77 KDM4E (0.43) KDM4EHPGDALDH1A1CYP1A2CYP2C9
SCHEMBL9750549 0.76 KDM4E (0.42) KDM4EHPGDALDH1A1CYP1A2CYP2C9
SCHEMBL2790527 0.76 TARBP2 (0.56) KDM4EHPGDALDH1A1CYP1A2CYP2C9
SCHEMBL9750662 0.74 KDM4E (0.40) KDM4EHPGDALDH1A1CYP1A2CYP2C9
SCHEMBL11171845 0.74 CYP1A2 (0.45) KDM4EHPGDALDH1A1CYP1A2CYP2C9
SCHEMBL9750741 0.73 MAPT (0.49) KDM4EHPGDALDH1A1CYP1A2CYP2C9
SCHEMBL2145232 0.72 ADORA3 (0.45) KDM4EHPGDALDH1A1CYP1A2CYP2C9
SCHEMBL2145238 0.72 ADORA3 (0.45) KDM4EHPGDALDH1A1CYP1A2CYP2C9

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-5000775-A 2-amino-4,5-disubstituted-oxazole/thiazole compounds as herbicide antidotes MONSANTO COMPANY (US) 1991-03-19 US disclosed