SCHEMBL9750626

SCHEMBL9750626

CCOC(=O)c1oc(N(Cc2ccccc2)Cc2ccccc2)nc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 2/20 0.42
TSHR P16473 2/20 0.42
SLC26A6 Q9BXS9 1/20 0.41
RAB9A P51151 2/20 0.40
KMT2A Q03164 2/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
NPC1 O15118 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HTT P42858 1/20 0.39
HSD17B10 Q99714 3/20 0.39
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL9750673 0.84 SLC26A6 (0.47) KDM4EALDH1A1HPGDLMNATSHR
SCHEMBL9750549 0.83 KDM4E (0.42) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL9750592 0.83 KDM4E (0.42) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL9750576 0.80 KDM4E (0.39) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL9750597 0.79 KDM4E (0.43) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL2790527 0.77 TARBP2 (0.56) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL9750662 0.76 KDM4E (0.40) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL11171845 0.75 CYP1A2 (0.45) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL9750741 0.74 MAPT (0.49) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL2145238 0.74 ADORA3 (0.45) KDM4EALDH1A1HPGDCYP1A2CYP2C9

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