SCHEMBL20124862

SCHEMBL20124862

Nc1ccc(NC(=O)C(O)Cc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
GLS O94925 4/20 0.48
MAPT P10636 2/20 0.48
TP53 P04637 1/20 0.48
HDAC1 Q13547 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SOAT1 P35610 1/20 0.47
NPY1R P25929 1/20 0.46
NPY2R P49146 1/20 0.46
BACE1 P56817 1/20 0.45

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
SCHEMBL8864057 0.89 MEN1 (0.54) RAB9ANPC1MEN1KMT2AGLS
SCHEMBL2610069 0.84 KMT2A (0.54) RAB9ANPC1MEN1KMT2AGLS
SCHEMBL7299745 0.84 MEN1 (0.51) RAB9ANPC1MEN1KMT2AGLS
SCHEMBL4529118 0.84 MEN1 (0.71) RAB9ANPC1MEN1KMT2AGLS
SCHEMBL28703199 0.84 MEN1 (0.51) RAB9ANPC1MEN1KMT2AGLS
SCHEMBL18086476 0.84 MAPK1 (0.64) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL7300551 0.84 MEN1 (0.51) RAB9ANPC1MEN1KMT2AGLS
SCHEMBL19316158 0.83 NPC1 (0.74) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL9724923 0.83 RAB9A (0.50) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL9724992 0.81 MME (0.57) MEN1KMT2AMAPTMAPK1

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
EP-3008045-B1 ANTIBACTERIAL THIAZOLECARBOXYLIC ACIDS ANTABIO SAS (FR) 2018-05-09 EP disclosed