SCHEMBL28295817

SCHEMBL28295817

CC(F)(F)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.52
ALDH1A1 P00352 6/20 0.52
KDM4E B2RXH2 4/20 0.52
MEN1 O00255 2/20 0.52
HTT P42858 2/20 0.52
KMT2A Q03164 2/20 0.52
ALOX15 P16050 2/20 0.52
HSD17B10 Q99714 2/20 0.52
TP53 P04637 2/20 0.52
MAPK1 P28482 2/20 0.52
USP2 O75604 1/20 0.52
AKR1C3 P42330 1/20 0.51
LMNA P02545 5/20 0.50
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
CYP1A2 P05177 1/20 0.48
PRKDC P78527 2/20 0.46
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LGMN Q99538 1/20 0.43

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
SCHEMBL270272 0.84 MAPT (0.65) MAPTALDH1A1KDM4EMEN1HTT
SCHEMBL2203983 0.84 AKR1C3 (0.68) MAPTALDH1A1KDM4EMEN1HTT
SCHEMBL16000561 0.82 MAPT (0.63) MAPTALDH1A1KDM4EMEN1HTT
SCHEMBL14614585 0.81 MAPT (0.52) MAPTALDH1A1KDM4EMEN1HTT
SCHEMBL5738297 0.81 MAPT (0.54) MAPTALDH1A1KDM4EMEN1HTT
SCHEMBL9093746 0.78 LMNA (0.71) MAPTALDH1A1KDM4EMEN1HTT
SCHEMBL24921231 0.78 NPC1 (0.54) MAPTALDH1A1KDM4EMEN1HTT
SCHEMBL8375217 0.78 MAPT (0.49) MAPTALDH1A1KDM4EMEN1HTT
SCHEMBL13930909 0.78 MAPT (0.49) MAPTALDH1A1KDM4EMEN1HTT
SCHEMBL26357634 0.78 MAPT (0.51) MAPTALDH1A1KDM4EMEN1HTT

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
CN-109704914-A A kind of facile syntheesis new method of 1,1- bis-fluoro ethyls aromatic compound 山东理工大学 2019-05-03 CN disclosed