SCHEMBL531663

SCHEMBL531663

C[C@@H](C(O)C#N)N(Cc1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 4/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MMP1 P03956 4/20 0.43
MMP3 P08254 4/20 0.43
POLB P06746 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 1/20 0.42
MMP7 P09237 1/20 0.42
MMP9 P14780 1/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ATM Q13315 1/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 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
SCHEMBL17275467 0.82 TSHR (0.45) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL22370929 0.82 MEN1 (0.56) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL27171240 0.82 MEN1 (0.56) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL347257 0.82 MEN1 (0.56) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL28623788 0.82 TSHR (0.45) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL15670960 0.82 KMT2A (0.59) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL15670729 0.82 KMT2A (0.59) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL14908817 0.77 MEN1 (0.50) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL15670940 0.77 MEN1 (0.57) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL15812399 0.77 MEN1 (0.57) MEN1KMT2AALDH1A1LMNAPOLB

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