SCHEMBL21495058

SCHEMBL21495058

COc1ccc(CN(C(=O)O)c2nc(B3OC(=O)CN(C)CC(=O)O3)cs2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.38
KMT2A Q03164 7/20 0.38
RAB9A P51151 3/20 0.38
LMNA P02545 3/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 2/20 0.38
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PTPRB P23467 1/20 0.36
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL28521283 0.89 RAB9A (0.35) MEN1KMT2ARAB9ALMNAMAPT
SCHEMBL21484640 0.81 MEN1 (0.43) MEN1KMT2ARAB9ALMNAMAPT
SCHEMBL21495060 0.75 ALDH1A1 (0.41) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL21484702 0.74 KMT2A (0.46) MEN1KMT2ARAB9ALMNAMAPT
SCHEMBL21505301 0.70 USP30 (0.39) MEN1KMT2ARAB9ALMNAMAPT
SCHEMBL21495079 0.68 MAPT (0.48) MEN1KMT2ARAB9ALMNAMAPT
SCHEMBL21495081 0.68 SCN1A (0.61) MEN1KMT2ARAB9ALMNAALDH1A1
SCHEMBL21495053 0.67 NPC1 (0.36) KMT2ARAB9AMAPTALDH1A1NPC1
SCHEMBL21495067 0.67 MAPT (0.51) MEN1KMT2ARAB9ALMNAMAPT
SCHEMBL23212669 0.66 DRD3 (0.33) MEN1KMT2ARAB9AMAPTALDH1A1

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-2019201865-A1 SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF NUCLEASES MASARYKOVA UNIVERZITA (CZ) 2019-10-24 WO disclosed