SCHEMBL30695802

SCHEMBL30695802

O=C1Nc2ccc(Br)cc2CO1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.51
CYP11B2 P19099 2/20 0.51
BRD4 O60885 1/20 0.50
CMA1 P23946 1/20 0.43
AHR P35869 1/20 0.43
TDP2 O95551 1/20 0.41
TGM2 P21980 1/20 0.41
CES1 P23141 1/20 0.41
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
PARP10 Q53GL7 2/20 0.38
PARP11 Q9NR21 1/20 0.38
PARP1 P09874 1/20 0.38
KCNH2 Q12809 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37

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
SCHEMBL787497 1.00 CYP11B1 (0.51) CYP11B1CYP11B2BRD4CMA1AHR
SCHEMBL3597266 0.79 LMNA (0.51) CYP11B1CYP11B2PDE3BPDE3AKCNH2
SCHEMBL3597262 0.79 CYP11B1 (0.51) CYP11B1CYP11B2AHRPDE3BPDE3A
SCHEMBL3068531 0.79 AHR (0.56) CYP11B1CYP11B2CMA1AHRTGM2
SCHEMBL10916724 0.79 CYP11B1 (0.51) CYP11B1CYP11B2BRD4AHRPDE3B
SCHEMBL13692913 0.79 CYP11B1 (0.51) CYP11B1CYP11B2AHRTDP2TGM2
SCHEMBL434348 0.79 CYP11B1 (0.51) CYP11B1CYP11B2BRD4PDE3BPDE3A
SCHEMBL31261247 0.79 CYP11B1 (0.51) CYP11B1CYP11B2PDE3BPDE3APARP10
SCHEMBL4170386 0.75 CYP11B1 (0.48) CYP11B1CYP11B2AHRPDE3BPDE3A
SCHEMBL2056370 0.75 PARP1 (0.51) CYP11B1CYP11B2PDE3BPDE3APARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025021062-A1 TRICYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2025-01-30 WO disclosed
CN-112300211-B Compound serving as thyroid hormone beta receptor agonist and application thereof 广东东阳光药业股份有限公司 2023-12-08 CN disclosed