SCHEMBL9367884

SCHEMBL9367884

COc1ccc(N)cc1OC(F)(F)C(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
MAPT P10636 4/20 0.45
GAA P10253 3/20 0.45
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
NR4A1 P22736 1/20 0.44
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 7/20 0.42
USP2 O75604 1/20 0.42
CYP19A1 P11511 2/20 0.41
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ATM Q13315 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
IMPDH2 P12268 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
SCHEMBL30038200 0.84 KDM4E (0.49) KDM4EMAPTGAATSHRMAPK1
SCHEMBL3544080 0.84 KDM4E (0.49) KDM4EMAPTGAATSHRMAPK1
SCHEMBL10850560 0.81 KDM4E (0.44) KDM4EMAPTGAATSHRHTT
SCHEMBL9367201 0.81 ALDH1A1 (0.42) KDM4EMAPTGAATSHRMAPK1
SCHEMBL10498338 0.80 MAPT (0.46) KDM4EMAPTGAATSHRMAPK1
SCHEMBL9187870 0.80 TSHR (0.44) KDM4EMAPTGAATSHRMAPK1
SCHEMBL11142948 0.79 GAA (0.52) KDM4EMAPTGAATSHRMAPK1
SCHEMBL9447622 0.79 KDM4E (0.45) KDM4EMAPTGAATSHRMAPK1
Hydrochloric Acid SCHEMBL10497798 0.79 MAPT (0.45) KDM4EMAPTGAATSHRMAPK1
SCHEMBL14864863 0.78 MAPT (0.45) KDM4EMAPTGAATSHRMAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0365915-B1 Substituted 2-aminothiazoles BAYER AG (DE) 1994-04-20 EP disclosed
US-4956370-A FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1990-09-11 US disclosed
EP-0365915-A2 Substituted 2-aminothiazoles BAYER AG (DE) 1990-05-02 EP disclosed