SCHEMBL2312765

SCHEMBL2312765

O=C(O)C[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)Cc1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.53
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
MAPT P10636 6/20 0.47
XBP1 P17861 1/20 0.47
CCR3 P51677 3/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 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
SCHEMBL2317287 0.85 MEN1 (0.56) MMEKMT2AMEN1MAPTLMNA
SCHEMBL2315703 0.85 KMT2A (0.53) MMEKMT2AMEN1MAPTLMNA
SCHEMBL2317282 0.85 MEN1 (0.56) MMEKMT2AMEN1MAPTLMNA
SCHEMBL2315692 0.85 KMT2A (0.53) MMEKMT2AMEN1MAPTLMNA
SCHEMBL2315478 0.84 MEN1 (0.70) MMEKMT2AMEN1ITGB3ITGA2B
SCHEMBL2315472 0.84 MEN1 (0.70) MMEKMT2AMEN1ITGB3ITGA2B
SCHEMBL2315652 0.84 MME (0.54) MMEKMT2AMEN1LMNA
SCHEMBL2315641 0.84 MME (0.54) MMEKMT2AMEN1LMNA
SCHEMBL2316267 0.84 MEN1 (0.57) MMEKMT2AMEN1MAPTHTT
SCHEMBL2316276 0.84 MEN1 (0.57) MMEKMT2AMEN1MAPTHTT

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