SCHEMBL12468832

SCHEMBL12468832

Cc1oc(-c2ccc(C(=O)NCc3cccnc3)cc2)nc1CS(=O)(=O)C1CCN(C(=O)O)CC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
THRB P10828 1/20 0.55
POLB P06746 4/20 0.54
HTT P42858 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
LMNA P02545 2/20 0.51
GALR3 O60755 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
USP2 O75604 1/20 0.48
ALDH1A1 P00352 2/20 0.47
TP53 P04637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TSHR P16473 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
SCHEMBL12468717 0.92 MAPT (0.50) MAPTTHRBPOLBHTTMEN1
SCHEMBL12468703 0.92 MAPT (0.57) MAPTTHRBPOLBHTTMEN1
SCHEMBL15322711 0.90 MAPT (0.55) MAPTTHRBPOLBHTTMEN1
SCHEMBL12469768 0.90 MAPT (0.51) MAPTTHRBPOLBHTTMEN1
SCHEMBL12468669 0.90 MAPT (0.60) MAPTTHRBPOLBHTTMEN1
SCHEMBL12469434 0.89 MAPT (0.54) MAPTTHRBPOLBHTTMEN1
SCHEMBL12468871 0.89 MAPT (0.53) MAPTTHRBPOLBHTTMEN1
SCHEMBL15323530 0.89 HTT (0.55) MAPTTHRBPOLBHTTMEN1
SCHEMBL12469144 0.89 HTT (0.55) MAPTTHRBPOLBHTTMEN1
SCHEMBL12469205 0.88 MAPT (0.58) MAPTTHRBPOLBHTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2627324-A2 SUBSTITUTED BENZAMIDES AND THEIR USES The Board of Trustees of The Leland Stanford Junior University (US) 2013-08-21 EP disclosed
WO-2012051117-A2 SUBSTITUTED BENZAMIDES AND THEIR USES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2012-04-19 WO disclosed