SCHEMBL9367201

SCHEMBL9367201

Cc1ccc(N)cc1OC(F)(F)C(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
MAPT P10636 5/20 0.41
KDM4E B2RXH2 4/20 0.41
LMNA P02545 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CASP1 P29466 3/20 0.41
TSHR P16473 4/20 0.38
CYP3A4 P08684 2/20 0.38
NOTUM Q6P988 1/20 0.38
GAA P10253 4/20 0.35
PDE10A Q9Y233 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NR4A1 P22736 1/20 0.34
POLB P06746 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GLA P06280 1/20 0.33

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
SCHEMBL10850560 0.86 KDM4E (0.44) ALDH1A1MAPTKDM4ELMNAMEN1
SCHEMBL31721282 0.83 ALDH1A1 (0.46) ALDH1A1MAPTKDM4ELMNAMEN1
SCHEMBL3534512 0.83 ALDH1A1 (0.46) ALDH1A1MAPTKDM4ELMNAMEN1
SCHEMBL9187870 0.81 TSHR (0.44) ALDH1A1MAPTKDM4ELMNAMEN1
SCHEMBL9367884 0.81 KDM4E (0.45) ALDH1A1MAPTKDM4ELMNAMEN1
SCHEMBL9814427 0.79 GAA (0.46) ALDH1A1MAPTKDM4ELMNAMEN1
SCHEMBL9368212 0.79 ALDH1A1 (0.40) ALDH1A1MAPTKDM4ELMNAMEN1
SCHEMBL10498338 0.78 MAPT (0.46) ALDH1A1MAPTKDM4ELMNAMEN1
SCHEMBL9677331 0.78 ALDH1A1 (0.36) ALDH1A1MAPTKDM4ELMNAMEN1
SCHEMBL9447622 0.76 KDM4E (0.45) ALDH1A1MAPTKDM4ELMNAMEN1

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 5 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
EP-0251014-B1 2-TRIFLUOROMETHYL BENZIMIDAZOLES BAYER AG (DE) 1992-05-20 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
EP-0251014-A2 2-Trifluoromethyl benzimidazoles BAYER AG (DE) 1988-01-07 EP disclosed