SCHEMBL26545148

SCHEMBL26545148

COc1cc(-c2ccnn2C)ccc1I

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.47
BRD3 Q15059 1/20 0.47
GRM7 Q14831 1/20 0.44
LRRK2 Q5S007 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP19A1 P11511 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ICMT O60725 1/20 0.43
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PI4KA P42356 1/20 0.43
PIK3CG P48736 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
TTK P33981 1/20 0.39
P2RX7 Q99572 2/20 0.39
PDE10A Q9Y233 1/20 0.39

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
SCHEMBL28058890 0.85 GRM7 (0.56) BRD4BRD3GRM7LRRK2CYP1A2
SCHEMBL24497540 0.83 KDM5A (0.52) BRD4BRD3GRM7LRRK2CYP1A2
SCHEMBL15652106 0.83 ALDH1A1 (0.59) BRD4BRD3GRM7LRRK2CYP1A2
SCHEMBL27398722 0.81 BRD4 (0.47) BRD4BRD3GRM7LRRK2CYP1A2
SCHEMBL31051265 0.81 BRD4 (0.47) BRD4BRD3GRM7LRRK2CYP1A2
SCHEMBL21133715 0.81 LRRK2 (0.54) BRD4BRD3GRM7LRRK2CYP1A2
SCHEMBL16911970 0.79 BRD4 (0.51) BRD4BRD3GRM7LRRK2CYP1A2
SCHEMBL26544695 0.79 BRD4 (0.46) BRD4BRD3GRM7LRRK2CYP1A2
SCHEMBL28234703 0.79 KDM4E (0.47) BRD4BRD3GRM7CYP1A2CYP3A4
SCHEMBL16911718 0.78 BRD4 (0.50) BRD4BRD3GRM7LRRK2CYP1A2

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-4257587-A1 HYDROXAMATE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shenzhen Chipscreen Biosciences Co., Ltd. (CN) 2023-10-11 EP disclosed