SCHEMBL22011056

SCHEMBL22011056

CNc1ncc(Br)cc1NCC(O)C=O

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.32
MEN1 O00255 1/20 0.32
PKM P14618 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NPC1 O15118 1/20 0.30
GAA P10253 1/20 0.30
ALOX12 P18054 1/20 0.30
RAB9A P51151 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL22011054 1.00 MAPT (0.32) MAPTMEN1PKMKMT2AALDH1A1
SCHEMBL22011053 0.77
SCHEMBL22010500 0.77
SCHEMBL22010776 0.76 MAPT (0.33) MAPTMEN1PKMKMT2AALDH1A1
SCHEMBL22010472 0.75 LRRK2 (0.31) MAPTMEN1PKMKMT2AALDH1A1
SCHEMBL22011506 0.73
SCHEMBL22518949 0.72 KMT2A (0.35) MAPTMEN1PKMKMT2AALDH1A1
SCHEMBL22010494 0.70
SCHEMBL1621193 0.68 HTT (0.38) MAPTKMT2AALDH1A1CYP1A2CYP2D6
SCHEMBL23963815 0.67 AURKA (0.32) MAPTMEN1KMT2AALDH1A1CYP1A2

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-2020099341-A1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF DEBIOPHARM INTERNATIONAL S.A. (CH) 2020-05-22 WO disclosed