SCHEMBL12468902

SCHEMBL12468902

COC(=O)c1ccc(-c2nc(CSC3CCN(C(=O)O)CC3)c(C)o2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
MEN1 O00255 1/20 0.52
HSD17B10 Q99714 5/20 0.46
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 4/20 0.46
HPGD P15428 3/20 0.46
HRH1 P35367 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 6/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
USP2 O75604 1/20 0.45
ALOX15 P16050 1/20 0.45
TP53 P04637 1/20 0.45
LMNA P02545 1/20 0.44

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
SCHEMBL12468730 0.89 KMT2A (0.49) KMT2AMEN1HSD17B10ALDH1A1KDM4E
SCHEMBL12468923 0.87 KMT2A (0.51) KMT2AMEN1HSD17B10ALDH1A1HPGD
SCHEMBL15323391 0.85 KMT2A (0.49) KMT2AMEN1HSD17B10ALDH1A1KDM4E
SCHEMBL12469084 0.80 KMT2A (0.49) KMT2AMEN1HSD17B10ALDH1A1HRH1
SCHEMBL15325935 0.80 KMT2A (0.49) KMT2AMEN1HSD17B10ALDH1A1HRH1
SCHEMBL15325979 0.80 KMT2A (0.49) KMT2AMEN1HSD17B10ALDH1A1HRH1
SCHEMBL12008412 0.77 ALDH1A1 (0.77) KMT2AMEN1HSD17B10ALDH1A1KDM4E
SCHEMBL15325998 0.77 KMT2A (0.45) KMT2AMEN1HSD17B10ALDH1A1KDM4E
SCHEMBL15325993 0.77 KMT2A (0.45) KMT2AMEN1HSD17B10ALDH1A1KDM4E
SCHEMBL12468892 0.76 MEN1 (0.53) KMT2AMEN1HSD17B10ALDH1A1KDM4E

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