SCHEMBL28636841

SCHEMBL28636841

NC(=O)Oc1ccc(Oc2ccc(C=O)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 4/20 0.68
PARP3 Q9Y6F1 1/20 0.68
KMT2A Q03164 6/20 0.53
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 3/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PARP15 Q460N3 2/20 0.45
PARP14 Q460N5 1/20 0.45
PARP16 Q8N5Y8 1/20 0.45
PARP11 Q9NR21 1/20 0.45
PARP4 Q9UKK3 1/20 0.45
CYP2A6 P11509 1/20 0.45
STS P08842 1/20 0.44
MAPT P10636 1/20 0.44
MEN1 O00255 1/20 0.44
KIF11 P52732 1/20 0.43
FURIN P09958 1/20 0.42
ALDH1A3 P47895 1/20 0.41
ELANE P08246 1/20 0.41

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
SCHEMBL10081937 0.94 KMT2A (0.58) PARP10PARP3KMT2AALDH1A1KDM4E
SCHEMBL28639437 0.82 PKM (0.51) PARP10PARP3KMT2AALDH1A1KDM4E
SCHEMBL1663469 0.81 PARP10 (0.65) PARP10PARP3KMT2AALDH1A1KDM4E
SCHEMBL5050902 0.81 PARP10 (0.65) PARP10PARP3KMT2AALDH1A1KDM4E
SCHEMBL754740 0.81 PARP10 (1.00) PARP10PARP3KMT2AALDH1A1KDM4E
SCHEMBL6284986 0.78 KMT2A (0.64) PARP10KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL5799799 0.78 PARP10 (0.64) PARP10KMT2AALDH1A1SMN1; SMN2PARP15
SCHEMBL14783590 0.77 KMT2A (0.62) PARP10PARP3KMT2AALDH1A1KDM4E
SCHEMBL11903558 0.77 KMT2A (0.44) PARP10PARP3KMT2AALDH1A1KDM4E
SCHEMBL31238525 0.77 PARP10 (0.62) PARP10PARP3KMT2AALDH1A1LMNA

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-109476699-B Glucocorticoid receptor agonists and immunoconjugates thereof 艾伯维公司 2021-10-12 CN disclosed