SCHEMBL2317475

SCHEMBL2317475

O=C(O)CC(Cc1ccc([N+](=O)[O-])cc1)NC(=O)Cc1cccs1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.56
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
POLB P06746 5/20 0.51
ALDH1A1 P00352 4/20 0.51
MAPT P10636 3/20 0.50
KDM4E B2RXH2 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
HTT P42858 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
THRB P10828 1/20 0.47
PKM P14618 1/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
GAA P10253 1/20 0.45
FFAR2 O15552 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
SCHEMBL2317467 1.00 MME (0.56) MMEMEN1KMT2APOLBALDH1A1
SCHEMBL2315478 0.85 MEN1 (0.70) MMEMEN1KMT2AALDH1A1MAPT
SCHEMBL2315472 0.85 MEN1 (0.70) MMEMEN1KMT2AALDH1A1MAPT
SCHEMBL2314782 0.84 HPGD (0.60) MMEMEN1KMT2APOLBALDH1A1
SCHEMBL2319208 0.84 MME (0.62) MMEMEN1KMT2APOLBHTT
SCHEMBL2314791 0.84 HPGD (0.60) MMEMEN1KMT2APOLBALDH1A1
SCHEMBL2319212 0.84 MME (0.62) MMEMEN1KMT2APOLBHTT
SCHEMBL2317023 0.82 MEN1 (0.51) MMEMEN1KMT2AALDH1A1MAPT
SCHEMBL2317033 0.82 MEN1 (0.51) MMEMEN1KMT2AALDH1A1MAPT
SCHEMBL2317493 0.82 FFAR2 (0.65) MMEPOLBPKMFFAR2

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-2011092284-A1 NOVEL AMINO ACID DERIVATIVES AND THEIR USE AS GPR43 RECEPTOR MODULATORS EUROSCREEN S.A. (BE) 2011-08-04 WO claimed