SCHEMBL15325933

SCHEMBL15325933

C=C(O)c1ccc(-c2nc(CS(=O)(=O)[C@H]3CC[C@@H](NC(=O)OC(C)(C)C)CC3)c(C)o2)cc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.47
MEN1 O00255 3/20 0.47
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL15325978 0.93 KMT2A (0.48) KMT2AMEN1HSD17B10KDM4EMAPT
SCHEMBL12469507 0.93 KMT2A (0.48) KMT2AMEN1HSD17B10KDM4EMAPT
SCHEMBL15326071 0.93 KMT2A (0.48) KMT2AMEN1HSD17B10KDM4EMAPT
SCHEMBL15325984 0.90 KMT2A (0.47) KMT2AMEN1HSD17B10KDM4ETP53
SCHEMBL15325934 0.90 KMT2A (0.47) KMT2AMEN1HSD17B10KDM4ETP53
SCHEMBL12469068 0.90 KMT2A (0.47) KMT2AMEN1HSD17B10KDM4ETP53
SCHEMBL15419564 0.88 KMT2A (0.45) KMT2AMEN1HSD17B10KDM4EMAPT
SCHEMBL15419500 0.88 KMT2A (0.45) KMT2AMEN1HSD17B10KDM4EMAPT
SCHEMBL15419485 0.85 KMT2A (0.44) KMT2AMEN1HSD17B10KDM4ETP53
SCHEMBL15419606 0.85 KMT2A (0.44) KMT2AMEN1HSD17B10KDM4ETP53

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
WO-2013155338-A2 SUBSTITUTED BENZAMIDES AND THEIR USES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2013-10-17 WO disclosed