SCHEMBL28528231

SCHEMBL28528231

COc1cccc2cc(Br)[nH]c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
ITK Q08881 2/20 0.47
HRH4 Q9H3N8 2/20 0.46
FLT3 P36888 1/20 0.46
NQO2 P16083 2/20 0.42
IDO1 P14902 1/20 0.42
PSMB8 P28062 1/20 0.41
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
MEN1 O00255 3/20 0.40
MAPT P10636 3/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
DAO P14920 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PDE3B Q13370 1/20 0.39

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
SCHEMBL476670 0.79 ITK (0.48) MTNR1AMTNR1BITKHRH4FLT3
SCHEMBL21586308 0.78 EHMT2 (0.50) MTNR1AMTNR1BITKHRH4FLT3
SCHEMBL20033880 0.78 ITK (0.47) MTNR1AMTNR1BITKHRH4FLT3
SCHEMBL25787433 0.75 ITK (0.45) MTNR1AMTNR1BITKHRH4FLT3
SCHEMBL16562898 0.75 ITK (0.48) MTNR1AMTNR1BITKHRH4FLT3
SCHEMBL12755274 0.75 ITK (0.45) MTNR1AMTNR1BITKHRH4FLT3
SCHEMBL30963688 0.75 DAO (0.53) HRH4KDM4EALDH1A1HPGDMAPT
SCHEMBL21877855 0.74 CA12 (0.53) HRH4PSMB8KDM4EMEN1KMT2A
SCHEMBL1550679 0.74 ENPP2 (0.47) MTNR1AMTNR1BITKHRH4FLT3
SCHEMBL20920169 0.74 ALDH1A1 (0.49) MTNR1AMTNR1BITKHRH4FLT3

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-112144074-B Method for preparing dibit bromoindole by using electrochemical microchannel device 南京先进生物材料与过程装备研究院有限公司 2021-12-03 CN disclosed
CN-112144074-A Method for preparing dibit bromoindole by using electrochemical microchannel device 南京先进生物材料与过程装备研究院有限公司 2020-12-29 CN disclosed