SCHEMBL29862913

SCHEMBL29862913

c1csc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)c1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.83
TP53 P04637 1/20 0.59
MGAM O43451 2/20 0.58
GAA P10253 2/20 0.58
SI P14410 2/20 0.58
MGAM2 Q2M2H8 2/20 0.58
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
GPR84 Q9NQS5 3/20 0.49
FFAR1 O14842 2/20 0.49
NR3C1 P04150 1/20 0.46
PGR P06401 1/20 0.46
NR3C2 P08235 1/20 0.46
AR P10275 1/20 0.46
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
AHR P35869 1/20 0.41

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
SCHEMBL7299585 1.00 MAPT (0.83) MAPTTP53MGAMGAASI
SCHEMBL19973935 0.80 MGAM (0.65) MAPTTP53MGAMGAASI
SCHEMBL10835010 0.80 MAPT (0.60) MAPTTP53MGAMGAASI
SCHEMBL8592636 0.80 MAPT (0.65) MAPTTP53MGAMGAASI
SCHEMBL29885627 0.80 MAPT (0.65) MAPTTP53MGAMGAASI
SCHEMBL31232976 0.78 MGAM (0.66) MAPTTP53MGAMGAASI
SCHEMBL18662732 0.74 MGAM (1.00) MAPTMGAMGAASIMGAM2
SCHEMBL18662735 0.74 MGAM (1.00) MAPTMGAMGAASIMGAM2
SCHEMBL30040360 0.73 MAPT (0.69) MAPTTP53MGAMGAASI
SCHEMBL3343111 0.73 MAPT (0.69) MAPTTP53MGAMGAASI

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-115073351-B Preparation method of 3,3' -bisindolyl methane 南京工业大学 2023-04-25 CN disclosed
CN-115073351-A Preparation method of 3,3' -bis-indolyl methane 南京工业大学 2022-09-20 CN disclosed
CN-110408660-B Method for synthesizing bisindole compound under catalysis of lipase 南京工业大学 2022-09-16 CN disclosed