SCHEMBL31097103

SCHEMBL31097103

[O-][n+]1nc(O)nc2cc(Br)ccc21

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.35
BACE1 P56817 2/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
AHR P35869 1/20 0.33
PABPC1 P11940 1/20 0.33
ERN1 O75460 1/20 0.31
F2 P00734 1/20 0.30
F10 P00742 1/20 0.30
PLG P00747 1/20 0.30
PLAU P00749 1/20 0.30
PLAT P00750 1/20 0.30
PRSS1 P07477 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
SCHEMBL31097104 1.00 ALOX15 (0.35) ALOX15BACE1CYP1A2CYP2C19HTT
SCHEMBL779834 0.86 ALOX15 (0.35) ALOX15BACE1HTTAHRPABPC1
SCHEMBL29864519 0.86 ALOX15 (0.35) ALOX15BACE1HTTAHRPABPC1
SCHEMBL31097094 0.79 PABPC1 (0.47) BACE1CYP1A2CYP2C19HTTAHR
SCHEMBL31097091 0.79 PABPC1 (0.47) BACE1CYP1A2CYP2C19HTTAHR
SCHEMBL25074945 0.79 PABPC1 (0.47) BACE1CYP1A2CYP2C19HTTAHR
SCHEMBL25074946 0.79 HTT (0.40) BACE1CYP1A2CYP2C19HTTAHR
SCHEMBL5112829 0.76 ESR2 (0.39) ALOX15BACE1HTT
SCHEMBL5457433 0.74 CRHBP (0.37) CYP1A2PABPC1
SCHEMBL31097086 0.74 L3MBTL1 (0.48) CYP1A2HTT

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
CN-118619937-A Benzotriazine double oxide and pharmaceutical composition thereof 浙江瑞臻医药有限公司 2024-09-10 CN disclosed