SCHEMBL254427

SCHEMBL254427

Nc1ccc(-c2ccc(C(=O)N[C@H](C(=O)NO)[C@H](O)C(F)F)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 9/20 0.41
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
APEX1 P27695 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PPARG P37231 1/20 0.37

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
SCHEMBL255358 0.88
SCHEMBL15235776 0.86
SCHEMBL158775 0.86
SCHEMBL253921 0.83 CA2 (0.47) ANPEPNPC1RAB9APPARG
SCHEMBL1109169 0.83 CA2 (0.47) ANPEPNPC1RAB9APPARG
SCHEMBL10272727 0.83 CA2 (0.47) ANPEPNPC1RAB9APPARG
SCHEMBL1109123 0.83 CA2 (0.47) ANPEPNPC1RAB9APPARG
SCHEMBL254790 0.83 ANPEP (0.40) ANPEP
SCHEMBL1912162 0.81 NPC1 (0.45) ANPEPNPC1RAB9AMEN1LMNA
SCHEMBL255253 0.78 ANPEP (0.50) ANPEP

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-2012031298-A2 ETHYNYLBENZENE DERIVATIVES DUKE UNIVERSITY (US) 2012-03-08 WO disclosed