SCHEMBL14207257

SCHEMBL14207257

O=C(Cl)c1ccc(CN2C(=O)CCC2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
HDAC6 Q9UBN7 9/20 0.48
HDAC1 Q13547 8/20 0.48
HDAC8 Q9BY41 6/20 0.48
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
ALDH1A1 P00352 2/20 0.45
POLB P06746 2/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
HTT P42858 1/20 0.45
RECQL P46063 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL14207256 0.85 PTGS1 (0.66) CA12CA1CA2CA9HDAC6
SCHEMBL17531262 0.77 HDAC6 (0.47) CA12CA1CA2CA9HDAC6
Bicarbonate SCHEMBL25171118 0.77 POLB (0.64) CA12CA1CA2CA9ALDH1A1
SCHEMBL7466601 0.76 HDAC1 (0.46) CA1CA2CA9HDAC6HDAC1
SCHEMBL28548456 0.76 CA12 (0.59) CA12CA1CA2CA9HDAC6
SCHEMBL2772977 0.76 L3MBTL1 (0.59) HDAC6HDAC1HDAC8ALDH1A1POLB
SCHEMBL16038134 0.75 HDAC1 (0.69) CA12CA1CA2CA9HDAC1
SCHEMBL5767794 0.75 CA12 (0.58) CA12CA1CA2CA9HDAC6
SCHEMBL7217564 0.75 CA1 (0.62) CA12CA1CA2CA9ALDH1A1
SCHEMBL40711 0.75 KMT2A (0.59) CA12CA1CA2CA9ALDH1A1

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
US-7361767-B2 N-sulfonyldicarboximide containing tethering compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-04-22 US disclosed