SCHEMBL30065589

SCHEMBL30065589

COC(=O)C(Br)c1ccc(F)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 8/20 0.52
NR3C1 P04150 2/20 0.46
MDM2 Q00987 9/20 0.45
MDM4 O15151 1/20 0.43
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42

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
SCHEMBL11295277 1.00 NR3C2 (0.52) NR3C2NR3C1MDM2MDM4PSEN1
SCHEMBL24898696 0.89 PSEN1 (0.46) NR3C2NR3C1MDM2PSEN1PSEN2
SCHEMBL4026932 0.84 LMNA (0.49) NR3C2NR3C1
SCHEMBL30369402 0.84 LMNA (0.49) NR3C2NR3C1
SCHEMBL4533837 0.84 CES2 (0.45) NR3C2PSEN1PSEN2APH1BNCSTN
SCHEMBL4510815 0.84 NR3C2 (0.54) NR3C2NR3C1MDM2MDM4PSEN1
SCHEMBL25689237 0.83 NR3C2 (0.41) NR3C2NR3C1PSEN1PSEN2APH1B
SCHEMBL30938844 0.83 NR3C2 (0.53) NR3C2NR3C1MDM2MDM4PSEN1
SCHEMBL30938843 0.83 NR3C2 (0.53) NR3C2NR3C1MDM2MDM4PSEN1
SCHEMBL18103273 0.83 MAPK1 (0.43)

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-113149961-B Azabicyclo-substituted triazole derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2022-11-22 CN disclosed