SCHEMBL28265757

SCHEMBL28265757

O=C(O)c1cn(Cc2ccccn2)c2ccccc12

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.74
KDM4E B2RXH2 1/20 0.74
CNR1 P21554 1/20 0.54
CNR2 P34972 1/20 0.54
LMNA P02545 1/20 0.53
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
ADORA1 P30542 1/20 0.49
MAPK1 P28482 2/20 0.48
MEN1 O00255 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PLK1 P53350 1/20 0.47

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
SCHEMBL12642940 0.86 CNR2 (0.71) SLC22A12KDM4ECNR1CNR2LMNA
SCHEMBL28589808 0.86 SLC22A12 (1.00) SLC22A12KDM4ECNR1CNR2LMNA
SCHEMBL30547726 0.86 KDM4E (0.62) SLC22A12KDM4ECNR1CNR2LMNA
SCHEMBL28155884 0.85 SLC22A12 (0.60) SLC22A12KDM4ECNR1CNR2ALDH1A1
Hydrochloric Acid SCHEMBL2038739 0.85 CNR2 (0.69) SLC22A12KDM4ECNR1CNR2ALDH1A1
SCHEMBL28914985 0.84 NR4A2 (0.64) SLC22A12KDM4ECNR1CNR2LMNA
SCHEMBL28575851 0.84 SLC22A12 (0.68) SLC22A12KDM4ECNR1CNR2LMNA
SCHEMBL30622546 0.83 SLC22A12 (0.55) SLC22A12KDM4ECNR1CNR2LMNA
SCHEMBL28584451 0.82 SLC22A12 (0.81) SLC22A12KDM4ECNR1CNR2LMNA
SCHEMBL28584456 0.82 SLC22A12 (0.57) SLC22A12KDM4ECNR1CNR2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113004188-B Indole derivative, preparation method and application 沈阳药科大学 2022-09-20 CN disclosed
CN-113004188-A Indole derivative, preparation method and application 沈阳药科大学 2021-06-22 CN disclosed
CN-109153643-A Substituted indole MCL-1 inhibitors 范德比尔特大学 2019-01-04 CN disclosed