SCHEMBL22010776

SCHEMBL22010776

CNc1ncc(Br)cc1NCCC=O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
PKM P14618 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL22011056 0.76 MAPT (0.32) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL22011054 0.76 MAPT (0.32) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL22010472 0.75 LRRK2 (0.31) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL22518949 0.75 KMT2A (0.35) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL21983696 0.74 APEX1 (0.38) MAPTALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL22011506 0.73
SCHEMBL858032 0.72 SLC22A12 (0.43) MAPTALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL23963815 0.70 AURKA (0.32) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL15004370 0.69 ERN1 (0.36) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL22010500 0.69

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