SCHEMBL28636007

SCHEMBL28636007

NC(=O)Oc1cccc(Sc2ccc(C=O)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ MTNR1A P48039 1/20 0.39
▸ MTNR1B P49286 1/20 0.39
▸ PARP10 Q53GL7 1/20 0.39
▸ PARP3 Q9Y6F1 1/20 0.39
▸ DRD1 P21728 1/20 0.38
▸ CHEK2 O96017 1/20 0.37
▸ NPC1 O15118 3/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ POLB P06746 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ BLM P54132 1/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ SRC P12931 1/20 0.35

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
SCHEMBL2706311 0.86 CYP3A4 (0.47) KMT2AMEN1MTNR1AMTNR1BDRD1
SCHEMBL6540392 0.79 ALDH1A1 (0.52) KMT2AMEN1MTNR1AMTNR1BCHEK2
SCHEMBL3821816 0.78 KMT2A (0.68) KMT2AMEN1NPC1GAAMAPT
SCHEMBL28636011 0.78 KMT2A (0.58) KMT2AMEN1PARP10PARP3NPC1
SCHEMBL6848984 0.74 ALDH1A1 (0.47) RAB9AALDH1A1MCL1SRCANXA2
SCHEMBL28646238 0.74 KMT2A (0.53) KMT2AMEN1PARP10PARP3DRD1
SCHEMBL28924753 0.74 MEN1 (0.53) KMT2AMEN1PARP10PARP3DRD1
SCHEMBL28637154 0.74 KMT2A (0.53) KMT2AMEN1MTNR1AMTNR1BPARP10
SCHEMBL10081937 0.74 KMT2A (0.58) KMT2AMEN1PARP10PARP3DRD1
SCHEMBL2727753 0.73 ALDH5A1 (0.47) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1

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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