SCHEMBL9750592

SCHEMBL9750592

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.42
HPGD P15428 6/20 0.42
ALDH1A1 P00352 6/20 0.42
HSD17B10 Q99714 3/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TARBP2 Q15633 1/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
AHR P35869 1/20 0.38
POLQ O75417 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
HDAC4 P56524 1/20 0.38

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
SCHEMBL9750576 0.85 KDM4E (0.39) KDM4EHPGDALDH1A1HSD17B10KMT2A
SCHEMBL9750626 0.83 KDM4E (0.43) KDM4EHPGDALDH1A1HSD17B10KMT2A
SCHEMBL9750597 0.82 KDM4E (0.43) KDM4EHPGDALDH1A1HSD17B10KMT2A
SCHEMBL9750662 0.79 KDM4E (0.40) KDM4EHPGDALDH1A1HSD17B10KMT2A
SCHEMBL9750549 0.79 KDM4E (0.42) KDM4EHPGDALDH1A1HSD17B10KMT2A
SCHEMBL2790527 0.78 TARBP2 (0.56) KDM4EHPGDALDH1A1HSD17B10KMT2A
SCHEMBL11171845 0.76 CYP1A2 (0.45) KDM4EHPGDALDH1A1HSD17B10CYP1A2
SCHEMBL9750741 0.75 MAPT (0.49) KDM4EHPGDALDH1A1KMT2ACYP1A2
SCHEMBL2145232 0.74 ADORA3 (0.45) KDM4EHPGDALDH1A1KMT2ACYP1A2
SCHEMBL2145238 0.74 ADORA3 (0.45) KDM4EHPGDALDH1A1KMT2ACYP1A2

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