SCHEMBL531391

SCHEMBL531391

C[C@@H]([C@H](O)c1nnn(C)n1)N(Cc1ccccc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ATM Q13315 1/20 0.39
HPGD P15428 1/20 0.38
POLB P06746 3/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
NPC1 O15118 1/20 0.37
DAGLA Q9Y4D2 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL739241 0.80 MEN1 (0.40) MEN1KMT2AATMPOLBALDH1A1
SCHEMBL532131 0.79 MEN1 (0.36) MEN1KMT2AATMPOLBALDH1A1
SCHEMBL532303 0.78 MEN1 (0.43) MEN1KMT2AATMHPGDPOLB
SCHEMBL15670960 0.73 KMT2A (0.59) MEN1KMT2AATMHPGDPOLB
SCHEMBL15670729 0.73 KMT2A (0.59) MEN1KMT2AATMHPGDPOLB
SCHEMBL531674 0.72 MEN1 (0.48) MEN1KMT2AHPGDPOLBALDH1A1
SCHEMBL531673 0.72 MEN1 (0.48) MEN1KMT2AHPGDPOLBALDH1A1
SCHEMBL11475616 0.69 MLYCD (0.44) MEN1KMT2AHPGDPOLBALDH1A1
SCHEMBL15670940 0.69 MEN1 (0.57) MEN1KMT2AATMHPGDPOLB
SCHEMBL15812399 0.69 MEN1 (0.57) MEN1KMT2AATMHPGDPOLB

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
EP-2415759-A1 CETP inhibitors Merck Sharp & Dohme Corporation (US) 2012-02-08 EP disclosed