SCHEMBL28573263

SCHEMBL28573263

O=C(O)c1cc(Br)c(N2CCCC(O)C2)c([N+](=O)[O-])c1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.41
HCAR3 P49019 3/20 0.39
POLB P06746 4/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ABL1 P00519 1/20 0.37
PKM P14618 2/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
CASP6 P55212 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
SCHEMBL28573261 1.00 ALDH1A1 (0.64) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL29832662 0.87 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL21820572 0.87 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL21820575 0.87 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL21808141 0.81 ALDH1A1 (0.42) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL28569296 0.81 ALDH1A1 (0.42) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL28904938 0.74 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AMAPTHCAR3
SCHEMBL28904936 0.74 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AMAPTHCAR3
SCHEMBL13991069 0.70 LMNA (0.57) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL25347899 0.68 LMNA (0.45) ALDH1A1MEN1KMT2ALMNAMAPT

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-115448908-A Compounds for the treatment of specific leukemias 拓臻股份有限公司 2022-12-09 CN disclosed
CN-115215838-A Compounds for the treatment of specific leukemias 拓臻股份有限公司 2022-10-21 CN disclosed
CN-112770745-B Compounds for the treatment of specific leukemias 拓臻股份有限公司 2022-09-02 CN disclosed
CN-112770745-A Compounds for the treatment of specific leukemias 拓臻股份有限公司 2021-05-07 CN disclosed