SCHEMBL28879031

SCHEMBL28879031

CCCCCCCCCCCCCCCCCCCc1cncn1CCCCCCCCCCCCCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.50
CYP11B1 P15538 6/20 0.40
CYP11B2 P19099 6/20 0.40
TLR8 Q9NR97 2/20 0.39
GPR84 Q9NQS5 1/20 0.38
TLR7 Q9NYK1 2/20 0.38
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL1075247 0.98 TBXAS1 (0.47) TBXAS1CYP11B1CYP11B2TLR8GPR84
SCHEMBL9570273 0.88 TBXAS1 (0.40) TBXAS1CYP11B1CYP11B2TLR8TDP1
SCHEMBL9597354 0.88 CYP11B1 (0.43) TBXAS1CYP11B1CYP11B2TLR8TDP1
SCHEMBL18948520 0.87 TBXAS1 (0.51) TBXAS1CYP11B1CYP11B2GPR84TLR7
Hydrochloric Acid SCHEMBL10338268 0.86 TBXAS1 (0.48) TBXAS1GPR84TDP1ALDH1A1
SCHEMBL12064369 0.85 CYP11B1 (0.41) TBXAS1CYP11B1CYP11B2
SCHEMBL6928075 0.84 CYP11B1 (0.41) TBXAS1CYP11B1CYP11B2TLR8TDP1
SCHEMBL6926786 0.84 CYP11B1 (0.41) TBXAS1CYP11B1CYP11B2TLR8TDP1
SCHEMBL8800529 0.84 CYP11B1 (0.41) TBXAS1CYP11B1CYP11B2TLR8TDP1
Hydrochloric Acid SCHEMBL6926145 0.83 TLR8 (0.39) TBXAS1TLR8TDP1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116648465-A Novel Borate Compounds AGC株式会社 2023-08-25 CN disclosed
CN-115279773-A Novel borate compound-containing compositions AGC株式会社 2022-11-01 CN disclosed
WO-2022131230-A1 NOVEL BORATE COMPOUND AGC株式会社 2022-06-23 WO disclosed