SCHEMBL6250182

SCHEMBL6250182

[CH2]Sc1nccc(C(F)(F)F)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.40
LRRK2 Q5S007 1/20 0.37
HDAC3 O15379 1/20 0.36
NCOR1 O75376 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
PKM P14618 1/20 0.36
SYK P43405 7/20 0.36
LOXL2 Q9Y4K0 2/20 0.35
TAS2R14 Q9NYV8 1/20 0.35
LOX P28300 1/20 0.34
IDH1 O75874 1/20 0.34

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
SCHEMBL29906009 0.80 SYK (0.43) ADRB1LRRK2HDAC3NCOR1HDAC4
SCHEMBL1184986 0.80 SYK (0.43) ADRB1LRRK2HDAC3NCOR1HDAC4
SCHEMBL8345900 0.76 HDAC3 (0.42) ADRB1LRRK2HDAC3NCOR1HDAC4
SCHEMBL12933370 0.73 HDAC3 (0.40) ADRB1LRRK2HDAC3NCOR1HDAC4
SCHEMBL12963514 0.73 HDAC3 (0.40) ADRB1LRRK2HDAC3NCOR1HDAC4
SCHEMBL17049228 0.72 ADRB1 (0.43) ADRB1PKMSYKLOXL2TAS2R14
SCHEMBL29390964 0.72 HDAC3 (0.42) ADRB1LRRK2HDAC3NCOR1HDAC4
SCHEMBL29712950 0.72 ALDH1A1 (0.47) ADRB1LRRK2HDAC3NCOR1HDAC4
SCHEMBL28040342 0.72 SYK (0.42) ADRB1LRRK2HDAC3NCOR1HDAC4
SCHEMBL4720895 0.71 HDAC3 (0.41) ADRB1HDAC3NCOR1HDAC4HDAC1

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
WO-2005044008-A2 2 -AMINOTHIOPHENE COMPOUNDS AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2005-05-19 WO disclosed