SCHEMBL28688124

SCHEMBL28688124

Nc1cccc(B(O)O)c1N

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.48
CYP3A4 P08684 4/20 0.42
TSHR P16473 3/20 0.42
PIK3CA P42336 1/20 0.42
ALDH1A1 P00352 3/20 0.38
ENPP2 Q13822 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALOX15 P16050 2/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LIPG Q9Y5X9 1/20 0.32
PARP1 P09874 1/20 0.32

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
SCHEMBL29780861 0.79 CYP3A4 (0.47) CYP3A4TSHRPIK3CAALDH1A1ENPP2
SCHEMBL56105 0.79 CYP3A4 (0.47) CYP3A4TSHRPIK3CAALDH1A1ENPP2
Boric Acid SCHEMBL28513000 0.78 CD44 (0.50) CD44CYP3A4TSHRPIK3CAALDH1A1
SCHEMBL3788616 0.78 G6PD (0.43) CYP3A4TSHRPIK3CAALDH1A1ENPP2
SCHEMBL3786866 0.78 CD44 (0.52) CD44CYP3A4TSHRALDH1A1ENPP2
SCHEMBL3790368 0.78 MMP2 (0.43) CD44CYP3A4TSHRPIK3CAALDH1A1
SCHEMBL3192230 0.78 CYP3A4 (0.59) CD44CYP3A4TSHRPIK3CAALDH1A1
Water SCHEMBL4437578 0.77 CYP3A4 (0.45) CYP3A4TSHRPIK3CAALDH1A1ENPP2
Hydrochloric Acid SCHEMBL731024 0.77 CYP3A4 (0.46) CYP3A4TSHRPIK3CAALDH1A1ENPP2
Hydrochloric Acid SCHEMBL29955380 0.77 CYP3A4 (0.46) CYP3A4TSHRPIK3CAALDH1A1ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114405545-B Cellulose inscription mimic enzyme, construction method and application thereof 河南科技大学 2024-06-07 CN claimed
CN-113136020-A Water-based polyurethane polymer and preparation method thereof, single-component water-based polyurethane waterproof coating and preparation method and application thereof 万华化学集团股份有限公司 2021-07-20 CN claimed
CN-114405545-B Cellulose inscription mimic enzyme, construction method and application thereof 河南科技大学 2024-06-07 CN disclosed
CN-113136020-B Water-based polyurethane polymer and preparation method thereof, single-component water-based polyurethane waterproof coating and preparation method and application thereof 万华化学集团股份有限公司 2022-08-05 CN disclosed
CN-114405545-A Cellulose endoblotting mimic enzyme, construction method and application thereof 河南科技大学 2022-04-29 CN disclosed
CN-113136020-A Water-based polyurethane polymer and preparation method thereof, single-component water-based polyurethane waterproof coating and preparation method and application thereof 万华化学集团股份有限公司 2021-07-20 CN disclosed