SCHEMBL2318355

SCHEMBL2318355

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

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.58
MEN1 O00255 4/20 0.58
ALDH1A1 P00352 3/20 0.58
HTT P42858 2/20 0.58
MAPT P10636 1/20 0.58
MME P08473 6/20 0.58
GLA P06280 1/20 0.53
LMNA P02545 2/20 0.53
FFAR2 O15552 1/20 0.52
MMEL1 Q495T6 3/20 0.48
PSMB8 P28062 1/20 0.47
PSMB5 P28074 1/20 0.47
CNR2 P34972 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL2318361 1.00 KMT2A (0.58) KMT2AMEN1ALDH1A1HTTMAPT
SCHEMBL2315472 0.90 MEN1 (0.70) KMT2AMEN1ALDH1A1HTTMAPT
SCHEMBL2315478 0.90 MEN1 (0.70) KMT2AMEN1ALDH1A1HTTMAPT
SCHEMBL2314965 0.89 MME (0.71) KMT2AMMEFFAR2MMEL1PSMB8
SCHEMBL2314959 0.89 MME (0.71) KMT2AMMEFFAR2MMEL1PSMB8
SCHEMBL2314735 0.88 MEN1 (0.60) KMT2AMEN1ALDH1A1MAPTMME
SCHEMBL2314740 0.88 MEN1 (0.60) KMT2AMEN1ALDH1A1MAPTMME
SCHEMBL2320196 0.88 FFAR2 (0.69) KMT2AMEN1ALDH1A1HTTMAPT
SCHEMBL2317674 0.88 FFAR2 (0.69) KMT2AMEN1ALDH1A1HTTMAPT
SCHEMBL2317669 0.88 FFAR2 (0.69) KMT2AMEN1ALDH1A1HTTMAPT

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