SCHEMBL27259089

SCHEMBL27259089

O=C(OF)c1cccc(I)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
GRM5 P41594 1/20 0.41
KAT6A Q92794 1/20 0.40
F2 P00734 2/20 0.40
MTOR P42345 3/20 0.39
TP53BP1 Q12888 1/20 0.39
PTPN1 P18031 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
PKM P14618 1/20 0.36
LMNA P02545 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
SCHEMBL11264665 0.83 HDAC1 (0.42) HDAC1HDAC2GRM5KAT6AF2
SCHEMBL6422675 0.82 MTOR (0.43) HDAC1HDAC2GRM5KAT6AF2
SCHEMBL27629859 0.80 MTOR (0.42) HDAC1HDAC2GRM5KAT6AF2
SCHEMBL7451795 0.80 TSHR (0.57) HDAC1HDAC2GRM5HCRTR1HCRTR2
SCHEMBL281 0.80 TSHR (0.57) HDAC1HDAC2GRM5HCRTR1HCRTR2
SCHEMBL29732178 0.80 TSHR (0.57) HDAC1HDAC2GRM5HCRTR1HCRTR2
SCHEMBL28766468 0.80 IDO1 (0.41) HDAC1HDAC2GRM5KAT6AF2
SCHEMBL6971830 0.80 HDAC1 (0.41) HDAC1HDAC2GRM5KAT6AF2
SCHEMBL14022964 0.80 HDAC1 (0.41) HDAC1HDAC2GRM5KAT6AF2
SCHEMBL28379117 0.78 HDAC1 (0.40) HDAC1HDAC2GRM5KAT6AF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109810570-A Inorganic nano material prints ink and its preparation method and application TCL集团股份有限公司 2019-05-28 CN claimed
CN-101124199-B 5-substituted-2-phenylamino-benzamides as MEK inhibiting substances CHUGAI PHARMACEUTICAL CO.,LTD. (JP) 2011-12-14 CN disclosed
CN-101784553-A 3-spiropyrimidinetrione-quinoline derivatives and their use as antibacterial agents ASTRAZENECA AB 2010-07-21 CN disclosed
CN-101124199-A 5-substituted-2-phenylamino-benzamides as MEK inhibiting substances CHUGAI PHARMACEUTICAL CO LTD (JP) 2008-02-13 CN disclosed
CN-1024415-C Process for preparing benzoic acid derivatives BAYER AG (DE) 1994-05-04 CN disclosed
CN-87106482-A Process for preparing benzoic acid derivatives 1988-03-30 CN disclosed