SCHEMBL28297515

SCHEMBL28297515

Brn1cc(-c2cccs2)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.45
GSK3B P49841 1/20 0.45
BAZ2B Q9UIF8 1/20 0.40
BAZ2A Q9UIF9 1/20 0.40
CAMK2D Q13557 1/20 0.39
ALDH1A1 P00352 9/20 0.37
KDM4E B2RXH2 7/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 4/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
BLM P54132 1/20 0.37
PARP1 P09874 1/20 0.36
LTA4H P09960 1/20 0.36
ALOX5 P09917 1/20 0.35
HPGD P15428 4/20 0.35
HTT P42858 2/20 0.35
RCE1 Q9Y256 1/20 0.35
ATM Q13315 1/20 0.34

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
SCHEMBL28195485 0.79 GSK3B (0.66) PRKCAGSK3BBAZ2BBAZ2AALDH1A1
SCHEMBL5357541 0.73 SIRT2 (0.53) CAMK2DALDH1A1SMN1; SMN2POLBMEN1
SCHEMBL9927346 0.72 LTA4H (0.47) ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL29945128 0.72 LTA4H (0.47) ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL28858352 0.72 HTR6 (0.50) GSK3BALDH1A1KDM4ERAB9ANPC1
SCHEMBL27661373 0.71 CAMK2D (0.49) PRKCAGSK3BCAMK2DALDH1A1KDM4E
SCHEMBL5358790 0.71 HTR6 (0.65) SMN1; SMN2L3MBTL1LMNA
SCHEMBL14981148 0.71 LTA4H (0.46) ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL15085211 0.69 PRKCA (0.40) PRKCAGSK3BBAZ2BBAZ2ACAMK2D
SCHEMBL7212806 0.68 KDM4E (0.50) ALDH1A1KDM4ERAB9ANPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107620088-B A kind of method of electrochemical catalytic oxidation synthesis 3- sulfydryl indole class compound 浙江工业大学 2019-05-07 CN disclosed