SCHEMBL2315652

SCHEMBL2315652

O=C(O)CC(Cc1ccc([N+](=O)[O-])cc1)NC(=O)Cc1cccc(Cl)c1Cl

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 8/20 0.54
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
LMNA P02545 2/20 0.48
FFAR2 O15552 1/20 0.48
MMEL1 Q495T6 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ITGB1 P05556 1/20 0.42
ITGA4 P13612 1/20 0.42
AVPR1A P37288 1/20 0.42
CTSG P08311 1/20 0.41
CMA1 P23946 1/20 0.41

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
SCHEMBL2315641 1.00 MME (0.54) MMEKMT2AMEN1LMNAFFAR2
SCHEMBL2315703 0.93 KMT2A (0.53) MMEKMT2AMEN1LMNAFFAR2
SCHEMBL2315692 0.93 KMT2A (0.53) MMEKMT2AMEN1LMNAFFAR2
SCHEMBL2315945 0.87 MME (0.59) MMEKMT2AMEN1FFAR2MMEL1
SCHEMBL2315949 0.87 MME (0.59) MMEKMT2AMEN1FFAR2MMEL1
SCHEMBL2319433 0.84 MME (0.52) MMEFFAR2MMEL1ITGB1ITGA4
SCHEMBL2319425 0.84 MME (0.52) MMEFFAR2MMEL1ITGB1ITGA4
SCHEMBL2313004 0.84 MME (0.51) MMEKMT2AMEN1LMNAFFAR2
SCHEMBL2312992 0.84 MME (0.51) MMEKMT2AMEN1LMNAFFAR2
SCHEMBL2312765 0.84 MME (0.53) MMEKMT2AMEN1LMNA

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