SCHEMBL2315692

SCHEMBL2315692

O=C(O)C[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)Cc1ccccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
MME P08473 5/20 0.53
LMNA P02545 2/20 0.52
FFAR2 O15552 1/20 0.46
PLA2G1B P04054 1/20 0.45
MAPT P10636 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
MMEL1 Q495T6 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TP53 P04637 1/20 0.43
ITGB1 P05556 1/20 0.43
ITGA4 P13612 1/20 0.43

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
SCHEMBL2315703 1.00 KMT2A (0.53) KMT2AMEN1MMELMNAFFAR2
SCHEMBL2315652 0.93 MME (0.54) KMT2AMEN1MMELMNAFFAR2
SCHEMBL2315641 0.93 MME (0.54) KMT2AMEN1MMELMNAFFAR2
SCHEMBL2313004 0.87 MME (0.51) KMT2AMEN1MMELMNAFFAR2
SCHEMBL2312992 0.87 MME (0.51) KMT2AMEN1MMELMNAFFAR2
SCHEMBL2317287 0.87 MEN1 (0.56) KMT2AMEN1MMELMNAFFAR2
SCHEMBL2317282 0.87 MEN1 (0.56) KMT2AMEN1MMELMNAFFAR2
SCHEMBL2315472 0.86 MEN1 (0.70) KMT2AMEN1MMELMNAFFAR2
SCHEMBL2317678 0.86 MME (0.60) KMT2AMEN1MMEFFAR2RAB9A
SCHEMBL2315478 0.86 MEN1 (0.70) KMT2AMEN1MMELMNAFFAR2

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