SCHEMBL28632725

SCHEMBL28632725

NC(=O)Oc1cccc(C=Cc2ccc(CO)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ LCK P06239 1/20 0.43
▸ CYP19A1 P11511 2/20 0.43
▸ RELA Q04206 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ PKM P14618 1/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ NFE2L2 Q16236 1/20 0.40
▸ NQO2 P16083 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL28636011 0.84 KMT2A (0.58) MEN1KMT2ALCKCYP19A1RELA
SCHEMBL15096124 0.79 RELA (0.70) CYP19A1RELANFE2L2NQO2
SCHEMBL2723540 0.78 KMT2A (0.68) MEN1KMT2ASMN1; SMN2
SCHEMBL28632692 0.78 MEN1 (0.58) MEN1KMT2ACYP19A1SMN1; SMN2
SCHEMBL16182836 0.75 RELA (0.50) MEN1KMT2ALCKCYP19A1RELA
SCHEMBL3821816 0.75 KMT2A (0.68) MEN1KMT2AALDH1A1NPC1SMN1; SMN2
SCHEMBL9903153 0.74 KMT2A (0.61) MEN1KMT2AKDM4EALDH1A1PKM
SCHEMBL13650268 0.74 MEN1 (0.48) MEN1KMT2A
SCHEMBL16182950 0.73 RELA (0.51) MEN1KMT2ALCKCYP19A1RELA
SCHEMBL8900000 0.72 KMT2A (0.56) MEN1KMT2ALCKCYP19A1RELA

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
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