SCHEMBL28313130

SCHEMBL28313130

CC(SC(F)F)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TAAR1 Q96RJ0 4/20 0.39
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
MEN1 O00255 2/20 0.38
HBB P68871 1/20 0.38
ADRA2A P08913 1/20 0.37
ADRA2C P18825 1/20 0.37
CYP2D6 P10635 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 1/20 0.37
HIF1A Q16665 1/20 0.37
KDM4E B2RXH2 1/20 0.37
DAO P14920 1/20 0.37
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL577805 0.85 ALDH1A1 (0.46) KMT2AALDH1A1L3MBTL1TAAR1MEN1
SCHEMBL10297589 0.80 ALDH1A1 (0.43) KMT2AALDH1A1L3MBTL1TAAR1MEN1
SCHEMBL24514929 0.76 TAAR1 (0.40) KMT2AALDH1A1L3MBTL1TAAR1MEN1
SCHEMBL1462233 0.76 TSHR (0.46) KMT2AALDH1A1L3MBTL1TAAR1IDO1
SCHEMBL20854763 0.76 ALDH1A1 (0.50) KMT2AALDH1A1L3MBTL1MEN1HBB
Bromide SCHEMBL20854776 0.74 ALDH1A1 (0.48) KMT2AALDH1A1L3MBTL1MEN1HBB
SCHEMBL775627 0.74 KMT2A (0.45) KMT2AALDH1A1L3MBTL1TAAR1ADRA2A
SCHEMBL14535430 0.72 KMT2A (0.44) KMT2AALDH1A1L3MBTL1TAAR1ADRA2A
SCHEMBL20809867 0.72 KMT2A (0.44) KMT2AALDH1A1L3MBTL1TAAR1ADRA2A
SCHEMBL1145689 0.72 KMT2A (0.44) KMT2AALDH1A1L3MBTL1TAAR1ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110028390-B Synthesis method of alkyl difluoromethyl ether compounds 深圳大学 2022-01-14 CN disclosed
CN-110028390-A The synthetic method of alkyl difluoromethyl ethers compound 深圳大学 2019-07-19 CN disclosed