SCHEMBL9751045

SCHEMBL9751045

CCOC(=O)c1oc(Nc2ccc(Cl)cc2)nc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
KDM4E B2RXH2 3/20 0.46
GAA P10253 3/20 0.45
ALK Q9UM73 1/20 0.44
DHODH Q02127 3/20 0.43
TARBP2 Q15633 1/20 0.43
HTT P42858 2/20 0.42
P2RY12 Q9H244 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
HIF1A Q16665 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL9750741 0.88 MAPT (0.49) MAPTKDM4EGAADHODHHTT
SCHEMBL9750654 0.81 KDM4E (0.40) MAPTKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL9750596 0.80 SLC26A6 (0.49) MAPTKDM4EGAAHTTP2RY12
SCHEMBL10480148 0.79 KDM4E (0.46) MAPTKDM4EHTTSMN1; SMN2ALDH1A1
SCHEMBL9750657 0.79 KDM4E (0.43) MAPTKDM4EHIF1AKMT2AALDH1A1
SCHEMBL2145287 0.79 ALDH1A1 (0.44) MAPTKDM4EHTTSMN1; SMN2MEN1
SCHEMBL9750598 0.78 KDM4E (0.42) MAPTKDM4EHIF1AKMT2AALDH1A1
SCHEMBL9750615 0.77 KDM4E (0.41) MAPTKDM4EHIF1AALDH1A1HPGD
SCHEMBL9750580 0.76 P2RY12 (0.45) MAPTKDM4EGAADHODHP2RY12
SCHEMBL9750624 0.76 KDM4E (0.45) MAPTKDM4EGAATARBP2KMT2A

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