SCHEMBL21268397

SCHEMBL21268397

FC(F)(F)COc1c[c]cc(OC(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
KDM4E B2RXH2 2/20 0.37
USP2 O75604 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
THRB P10828 1/20 0.37
G6PD P11413 1/20 0.37
ALOX15 P16050 1/20 0.37
CASP1 P29466 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 3/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
PAX8 Q06710 2/20 0.36
S1PR2 O95136 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
SCHEMBL16958866 0.90 ALDH1A1 (0.59) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL497707 0.85 GPR3 (0.39) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL16952986 0.81 L3MBTL1 (0.44) MAPTMEN1KMT2AL3MBTL1LMNA
SCHEMBL161368 0.78 MAPT (0.47) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL17046268 0.78 MAPT (0.47) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL17046412 0.78 PDK2 (0.35) MEN1KMT2AL3MBTL1
SCHEMBL17046407 0.77 MAPT (0.46) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL17046345 0.77 MAPT (0.46) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL1067737 0.76 ALDH1A1 (0.40) ALDH1A1GPR3GRIN2BSCN5A
SCHEMBL1067671 0.76 TRPV1 (0.33) GPR3

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
CN-105980365-B Benzimidazol-2-amines as mIDH1 inhibitors 拜耳医药股份公司 2019-06-21 CN claimed
CN-105980365-A Benzimidazol-2-amines as mIDH1 inhibitors 拜耳医药股份公司 2016-09-28 CN claimed
EP-2900645-B1 HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-08-21 EP disclosed