SCHEMBL22468928

SCHEMBL22468928

COC(=O)c1ccc(-c2cn(C(=O)OC(C)(C)C)c3ccccc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.49
MEN1 O00255 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
PIM1 P11309 1/20 0.48
MARK3 P27448 1/20 0.48
MAP4K2 Q12851 1/20 0.48
CAMK2B Q13554 1/20 0.48
PIM3 Q86V86 1/20 0.48
PIM2 Q9P1W9 1/20 0.48
BRD4 O60885 1/20 0.46
CREBBP Q92793 1/20 0.46
F2RL3 Q96RI0 1/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 3/20 0.43
THRB P10828 1/20 0.43
HTT P42858 1/20 0.43
ACHE P22303 1/20 0.43
POLB P06746 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL146186 0.86 SCN9A (0.44) KMT2AMEN1L3MBTL1PIM1MARK3
SCHEMBL5871186 0.84 L3MBTL1 (0.51) KMT2AMEN1L3MBTL1PIM1MARK3
SCHEMBL145542 0.82 PTGS1 (0.45) KMT2AMEN1KDM4EALDH1A1HTT
SCHEMBL29651126 0.80 KMT2A (0.76) KMT2AMEN1L3MBTL1KDM4EALDH1A1
SCHEMBL1746797 0.80 KMT2A (0.76) KMT2AMEN1L3MBTL1KDM4EALDH1A1
SCHEMBL30620463 0.78 L3MBTL1 (0.50) KMT2AMEN1L3MBTL1PIM1MARK3
SCHEMBL27257521 0.78 L3MBTL1 (0.53) KMT2AMEN1L3MBTL1PIM1MARK3
SCHEMBL23883832 0.78 LMNA (0.43) KMT2AMEN1L3MBTL1ALDH1A1ACHE
SCHEMBL30719630 0.78 L3MBTL1 (0.53) KMT2AMEN1L3MBTL1PIM1MARK3
SCHEMBL23496956 0.78 L3MBTL1 (0.53) KMT2AMEN1L3MBTL1PIM1MARK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113631548-B Serotonin 5-HT2B inhibiting compounds 硕腾服务有限责任公司 2023-06-06 CN disclosed
EP-3947360-A1 SEROTONIN 5-HT2B INHIBITORY COMPOUNDS Zoetis Services LLC (US) 2022-02-09 EP disclosed
CN-113631548-A Serotonin 5-HT2B inhibiting compounds 硕腾服务有限责任公司 2021-11-09 CN disclosed
WO-2020198478-A1 SEROTONIN 5-HT2B INHIBITORY COMPOUNDS ZOETIS SERVICES LLC (US) 2020-10-01 WO disclosed