SCHEMBL25944684

SCHEMBL25944684

CCOC(=O)c1c(C)[nH]c2cc(Br)ccc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.65
PKM P14618 1/20 0.65
LMNA P02545 2/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
GAA P10253 2/20 0.60
ALOX5 P09917 2/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
ALOX15 P16050 3/20 0.49
GABRA1 P14867 1/20 0.49
GABRB1 P18505 1/20 0.49
GABRA3 P34903 1/20 0.49
GABRB2 P47870 1/20 0.49
HCRTR1 O43613 1/20 0.48

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
SCHEMBL21954408 0.89 GAA (0.72) MAPTPKMLMNAL3MBTL1GAA
SCHEMBL8795754 0.87 ALOX15 (0.61) MAPTPKMALOX15
SCHEMBL25255940 0.86 MAPT (0.49) MAPTPKMLMNAL3MBTL1GAA
SCHEMBL25175645 0.85 NR4A2 (0.63) MAPTPKMLMNAL3MBTL1GAA
SCHEMBL9938004 0.83 GAA (0.60) MAPTPKMLMNAL3MBTL1GAA
SCHEMBL23606247 0.83 GAA (0.60) MAPTPKMLMNAL3MBTL1GAA
SCHEMBL16344846 0.83 ALOX15 (0.70) MAPTPKMLMNAL3MBTL1GAA
SCHEMBL31422791 0.82 GABRA1 (0.49) MAPTPKMLMNAL3MBTL1ALDH1A1
SCHEMBL16344594 0.81 PTGS1 (0.60) MAPTPKMLMNAL3MBTL1GAA
SCHEMBL24074581 0.80 ALDH1A1 (0.58) MAPTLMNAGAAALDH1A1CYP1A2

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-4209492-A1 COMPOUND FOR TREATING THROMBOTIC DISEASES Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2023-07-12 EP disclosed