SCHEMBL28914985

SCHEMBL28914985

COC(=O)c1cn(Cc2ccccn2)c2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.64
SLC22A12 Q96S37 1/20 0.62
GAA P10253 2/20 0.61
L3MBTL1 Q9Y468 2/20 0.58
TSHR P16473 2/20 0.58
LMNA P02545 5/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
MAPT P10636 2/20 0.56
KDM4E B2RXH2 2/20 0.54
POLB P06746 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
CNR1 P21554 2/20 0.53
CNR2 P34972 1/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 1/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL28571047 0.88 SLC22A12 (0.79) NR4A2SLC22A12GAAL3MBTL1TSHR
SCHEMBL28589203 0.85 SLC22A12 (0.65) NR4A2SLC22A12GAAL3MBTL1TSHR
SCHEMBL28265757 0.84 SLC22A12 (0.74) SLC22A12L3MBTL1LMNAMAPTKDM4E
SCHEMBL28915898 0.84 SLC22A12 (0.61) NR4A2SLC22A12GAATSHRLMNA
SCHEMBL28915858 0.82 CNR2 (0.61) SLC22A12KDM4ECNR1CNR2
SCHEMBL28915861 0.82 CNR2 (0.61) SLC22A12KDM4ECNR1CNR2
SCHEMBL28584018 0.81 SLC22A12 (0.58) SLC22A12TSHRLMNAKDM4EPOLB
SCHEMBL28155884 0.81 SLC22A12 (0.60) SLC22A12L3MBTL1SMN1; SMN2MAPTKDM4E
SCHEMBL5460505 0.81 CNR1 (0.54) NR4A2SLC22A12GAAL3MBTL1TSHR
SCHEMBL2430574 0.80 NR4A2 (0.72) NR4A2GAAL3MBTL1TSHRLMNA

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
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