SCHEMBL21382022

SCHEMBL21382022

Brc1ccc(-c2c[c]cn2Cc2ccc3c(c2)OCO3)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CMA1 P23946 1/20 0.44
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ HSP90AA1 P07900 1/20 0.42
▸ MAPK10 P53779 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ MAPT P10636 3/20 0.40
▸ TSHR P16473 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MCHR1 Q99705 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ FAAH O00519 1/20 0.39
▸ ALDH3A1 P30838 1/20 0.39
▸ PIM1 P11309 1/20 0.38
▸ CSNK2A1 P68400 1/20 0.38

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
SCHEMBL20379142 0.88 SMN1; SMN2 (0.49) CMA1KMT2AMEN1MAPTTSHR
SCHEMBL20379138 0.88 MAPT (0.49) CMA1HIF1AMAPTTSHRKDM4E
SCHEMBL21381489 0.88 KDM4E (0.50) CMA1KMT2AMEN1MAPTKDM4E
SCHEMBL21381493 0.88 SMN1; SMN2 (0.47) CMA1KMT2AMAPTTSHRKDM4E
SCHEMBL21381467 0.85 SMN1; SMN2 (0.46) CMA1KMT2ATSHRSMN1; SMN2PKM
SCHEMBL20379164 0.85 TRPV6 (0.47) CMA1KMT2AMEN1MAPTTSHR
SCHEMBL28331435 0.80 CMA1 (0.46) CMA1KMT2AMEN1HSP90AA1MAPK10
SCHEMBL21373634 0.77 CMA1 (0.50) CMA1KMT2AMEN1MAPTTSHR
SCHEMBL20379084 0.76 MAPT (0.47) CMA1KMT2AMEN1HSP90AA1MAPT
SCHEMBL21373535 0.76 PIM1 (0.40) CMA1KMT2AMEN1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3768673-A1 COMPOUNDS FOR TREATING CNS- AND NEURODEGENERATIVE DISEASES ETH Zurich (CH) 2021-01-27 — — EP claimed
WO-2019179890-A1 COMPOUNDS FOR TREATING CNS- AND NEURODEGENERATIVE DISEASES ETH ZURICH (CH) 2019-09-26 — — WO claimed
CN-116462666-A Cytoprotective compounds and uses thereof 瑞士苏黎世联邦理工学院 2023-07-21 — — CN disclosed
EP-3768673-A1 COMPOUNDS FOR TREATING CNS- AND NEURODEGENERATIVE DISEASES ETH Zurich (CH) 2021-01-27 — — EP disclosed
WO-2019179890-A1 COMPOUNDS FOR TREATING CNS- AND NEURODEGENERATIVE DISEASES ETH ZURICH (CH) 2019-09-26 — — WO disclosed
Send feedback