SCHEMBL531472

SCHEMBL531472

C[C@@H](C(=O)c1cn(C)cn1)N(Cc1ccccc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
SLC6A9 P48067 5/20 0.39
SLC6A5 Q9Y345 3/20 0.39
APOBEC3A P31941 1/20 0.39
KCNH2 Q12809 3/20 0.39
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
PGR P06401 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
HTR2A P28223 1/20 0.38
HRH1 P35367 1/20 0.38
LMNA P02545 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL17965952 0.74 PGR (0.57) MEN1KMT2AKCNH2ALDH1A1POLB
SCHEMBL531314 0.73 KDM4C (0.46) MEN1KMT2AALDH1A1POLBLMNA
SCHEMBL19349131 0.72 MEN1 (0.61) MEN1KMT2AALDH1A1POLBLMNA
SCHEMBL1516345 0.72 LMNA (0.47) MEN1KMT2ASLC6A9SLC6A5KCNH2
SCHEMBL531388 0.71 KMT2A (0.49) MEN1KMT2AKCNH2ALDH1A1POLB
SCHEMBL532486 0.71 KMT2A (0.49) MEN1KMT2AKCNH2ALDH1A1POLB
SCHEMBL531457 0.71 PLA2G4A (0.48) MEN1KMT2AALDH1A1POLBKDM4E
SCHEMBL15812249 0.71 KMT2A (0.59) MEN1KMT2AALDH1A1POLBLMNA
SCHEMBL15670744 0.71 KMT2A (0.59) MEN1KMT2AALDH1A1POLBLMNA
SCHEMBL1911566 0.70 GRM2 (0.39) SLC6A9SLC6A5KDM4E

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