SCHEMBL28958003

SCHEMBL28958003

O=[N+]([O-])c1ccc(F)c2c1OCO2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 1/20 0.53
TXNRD3 Q86VQ6 1/20 0.53
TXNRD2 Q9NNW7 1/20 0.53
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 6/20 0.43
HIF1A Q16665 2/20 0.43
VCAM1 P19320 1/20 0.41
CASP6 P55212 1/20 0.40
MAPT P10636 7/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MCL1 Q07820 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
MAPK1 P28482 2/20 0.36
TSHR P16473 2/20 0.36
MITF O75030 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
SCHEMBL29661290 0.78 TXNRD1 (0.53) TXNRD1TXNRD3TXNRD2TDP1ALDH1A1
SCHEMBL5723712 0.78 TXNRD1 (0.53) TXNRD1TXNRD3TXNRD2ATMTDP1
SCHEMBL24327364 0.78 TXNRD1 (0.53) TXNRD1TXNRD3TXNRD2TDP1ALDH1A1
SCHEMBL608552 0.78 TXNRD1 (0.53) TXNRD1TXNRD3TXNRD2TDP1ALDH1A1
SCHEMBL4491664 0.75 TXNRD1 (0.50) TXNRD1TXNRD3TXNRD2TDP1ALDH1A1
SCHEMBL4495775 0.75 TXNRD1 (0.54) TXNRD1TXNRD3TXNRD2ALDH1A1VCAM1
SCHEMBL28729994 0.75 ATM (0.39) TXNRD1TXNRD3TXNRD2ATMTDP1
SCHEMBL3540216 0.74 TXNRD1 (0.49) TXNRD1TXNRD3TXNRD2TDP1ALDH1A1
SCHEMBL6257481 0.70 TXNRD1 (0.62) TXNRD1TXNRD3TXNRD2TDP1ALDH1A1
SCHEMBL30379968 0.70 TXNRD1 (0.62) TXNRD1TXNRD3TXNRD2TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115557933-B Bruton tyrosine kinase and mutant degradation agent, composition and application thereof 杭州和正医药有限公司 2024-08-16 CN disclosed
CN-115557933-A Bruton tyrosine kinase and mutant degradation agent, composition and application thereof 杭州和正医药有限公司 2023-01-03 CN disclosed