SCHEMBL28533008

SCHEMBL28533008

COc1ccc(C2CC2)c(C2CCCN2)c1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
PDCD1LG2 Q9BQ51 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
CDC7 O00311 1/20 0.41
PIM1 P11309 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
HTR2C P28335 4/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2B P41595 1/20 0.39
CHRNA7 P36544 2/20 0.38
EED O75530 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
SCHEMBL31518263 0.83 MEN1 (0.78) MEN1KMT2ACDC7PIM1CSNK2B
SCHEMBL3328962 0.83 MEN1 (1.00) MEN1KMT2APDCD1LG2CD274CDC7
SCHEMBL21465760 0.81 MEN1 (0.50) MEN1KMT2AHTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL31738166 0.81 MEN1 (0.65) MEN1KMT2APDCD1LG2CD274CDC7
SCHEMBL30888638 0.80 PTGDR2 (0.45) MEN1KMT2AHTR2CPTGDR2HTR2A
SCHEMBL28521137 0.80 MEN1 (0.48) MEN1KMT2AHTR2C
SCHEMBL16559758 0.79 MEN1 (0.63) MEN1KMT2APDCD1LG2CD274CDC7
SCHEMBL31518202 0.78 MEN1 (0.62) MEN1KMT2APDCD1LG2CD274CDC7
SCHEMBL21516972 0.78 MEN1 (0.69) MEN1KMT2AHTR2CPTGDR2HTR2A
SCHEMBL21491464 0.78 MEN1 (0.89) MEN1KMT2A

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-117683029-A Bcl-2 inhibitors 百济神州有限公司 2024-03-12 CN disclosed
CN-117430601-A Bcl-2 inhibitors 百济神州有限公司 2024-01-23 CN disclosed
CN-112437772-B Bcl-2 inhibitors 百济神州有限公司 2023-11-21 CN disclosed
CN-112437772-A Bcl-2 inhibitors 百济神州有限公司 2021-03-02 CN disclosed