SCHEMBL3469653

SCHEMBL3469653

CCN(C(=O)C(Cc1cnn(Cc2cccnc2)c1)C(=O)NS(=O)(=O)/C=C/c1ccccc1)c1ccc(F)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
ERCC5 P28715 1/20 0.33
HDAC2 Q92769 3/20 0.32
TP53 P04637 1/20 0.32
KCNA5 P22460 1/20 0.32
CYP3A4 P08684 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
GRM2 Q14416 1/20 0.31
PKM P14618 1/20 0.31
KMT2A Q03164 1/20 0.31
SCD O00767 1/20 0.31
HDAC3 O15379 2/20 0.31
HDAC4 P56524 2/20 0.31
HDAC1 Q13547 2/20 0.31

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
SCHEMBL3469656 1.00 F2 (0.35) F2LMNAHTTALDH1A1MAPT
Hydrochloric Acid SCHEMBL3093239 0.99 F2 (0.34) F2LMNAHTTALDH1A1MAPT
Hydrochloric Acid SCHEMBL3093234 0.99 F2 (0.34) F2LMNAHTTALDH1A1MAPT
Hydrochloric Acid SCHEMBL3100301 0.94 HTT (0.37) F2LMNAHTTERCC5HDAC2
Hydrochloric Acid SCHEMBL3100291 0.94 HTT (0.37) F2LMNAHTTERCC5HDAC2
SCHEMBL3078960 0.94 LMNA (0.39) F2LMNAHTTALDH1A1MAPT
SCHEMBL3078964 0.94 LMNA (0.39) F2LMNAHTTALDH1A1MAPT
SCHEMBL3090762 0.91 LMNA (0.39) LMNAHTTALDH1A1MAPTHDAC2
SCHEMBL3097471 0.91 LMNA (0.40) LMNAHTTALDH1A1MAPTHDAC2
SCHEMBL3090767 0.91 LMNA (0.39) LMNAHTTALDH1A1MAPTHDAC2

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-2172450-B9 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2014-10-08 EP disclosed
EP-2172450-B1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2013-10-16 EP disclosed
EP-2172450-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-04-07 EP disclosed