SCHEMBL15323391

SCHEMBL15323391

COC(=O)c1ccc(-c2nc(CSC3CCNCC3)c(C)o2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
HRH1 P35367 1/20 0.48
MAPT P10636 6/20 0.45
TP53 P04637 2/20 0.45
HSD17B10 Q99714 4/20 0.43
USP2 O75604 1/20 0.43
ALOX15 P16050 1/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
HPGD P15428 2/20 0.43
RAB9A P51151 2/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL12468923 0.90 KMT2A (0.51) KMT2AMEN1HRH1MAPTTP53
SCHEMBL12468902 0.85 KMT2A (0.52) KMT2AMEN1HRH1MAPTTP53
SCHEMBL15325979 0.82 KMT2A (0.49) KMT2AMEN1HRH1MAPTTP53
SCHEMBL12468730 0.82 KMT2A (0.49) KMT2AMEN1HRH1MAPTHSD17B10
SCHEMBL15325935 0.82 KMT2A (0.49) KMT2AMEN1HRH1MAPTTP53
SCHEMBL12469084 0.82 KMT2A (0.49) KMT2AMEN1HRH1MAPTTP53
SCHEMBL12469010 0.82 KMT2A (0.49) KMT2AMEN1HRH1MAPTTP53
SCHEMBL15325993 0.79 KMT2A (0.45) KMT2AMEN1HRH1MAPTTP53
SCHEMBL15325998 0.79 KMT2A (0.45) KMT2AMEN1HRH1MAPTTP53
SCHEMBL12468892 0.78 MEN1 (0.53) KMT2AMEN1HRH1MAPTTP53

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-2838534-A2 SUBSTITUTED BENZAMIDES AND THEIR USES The Board of Trustees of The Leland Stanford Junior University (US) 2015-02-25 EP disclosed
WO-2013155338-A2 SUBSTITUTED BENZAMIDES AND THEIR USES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2013-10-17 WO disclosed