SCHEMBL4013554

SCHEMBL4013554

Cc1c(Cl)cccc1S(=O)(=O)[C@@]1(NC(=O)c2cccc(Oc3ccccc3)c2)CCCNC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
RAB9A P51151 4/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
PKM P14618 1/20 0.39
MMP3 P08254 1/20 0.39
MMP10 P09238 1/20 0.39
KAT6A Q92794 1/20 0.38
NPC1 O15118 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
BCL2L1 Q07817 2/20 0.36
MCL1 Q07820 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GCK P35557 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
SCHEMBL4006907 0.91 MEN1 (0.41) RAB9AALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL4009205 0.90 ITGB1 (0.38) MAPT
SCHEMBL4006080 0.86 CYP3A4 (0.39) HDAC1HDAC6RAB9AALDH1A1CYP1A2
SCHEMBL4002243 0.84 ALDH1A1 (0.37) RAB9AALDH1A1NPC1SMN1; SMN2MEN1
SCHEMBL4009200 0.83 ABCB1 (0.40) RAB9AALDH1A1KAT6AMEN1KMT2A
SCHEMBL4010548 0.83 HSD11B1 (0.38)
SCHEMBL4005126 0.83 HSD11B1 (0.34) ALDH1A1NPSR1CYP3A4MAPT
SCHEMBL4005617 0.82 ITGB1 (0.36) MAPT
SCHEMBL3999745 0.82 FPR2 (0.39) ALDH1A1LMNACYP3A4MAPT
SCHEMBL4004170 0.81 MAPT (0.39) RAB9AALDH1A1NPC1SMN1; SMN2MEN1

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
EP-1778229-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2009-06-17 EP disclosed
EP-1778229-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-05-02 EP disclosed
WO-2006020598-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-23 WO disclosed