SCHEMBL10970004

SCHEMBL10970004

BrCCCCc1cccc2[nH]ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.47
GLS O94925 2/20 0.45
SLC6A4 P31645 4/20 0.43
HTR1A P08908 4/20 0.43
DAO P14920 1/20 0.41
BCHE P06276 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
PIK3CD O00329 1/20 0.37
PARP1 P09874 1/20 0.36
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
KMT2A Q03164 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL28787727 0.87 AHR (0.52) AHRGLSSLC6A4HTR1ADAO
SCHEMBL5616200 0.83 SLC6A4 (0.43) AHRGLSSLC6A4HTR1ADAO
SCHEMBL8655960 0.83 MPO (0.46) AHRGLSSLC6A4HTR1ADAO
SCHEMBL11032690 0.83 GLS (0.45) AHRGLSSLC6A4HTR1ADAO
SCHEMBL8655958 0.83 HTR1A (0.43) AHRGLSSLC6A4HTR1ADAO
SCHEMBL14893124 0.81 BID (0.45) AHRGLSSLC6A4HTR1AGPR84
SCHEMBL9225111 0.81 BID (0.45) AHRGLSSLC6A4HTR1AGPR84
SCHEMBL3792774 0.81 AHR (0.44) AHRGLSSLC6A4HTR1ADAO
SCHEMBL1962511 0.81 AHR (0.44) AHRGLSSLC6A4HTR1ADAO
SCHEMBL1880679 0.81 AHR (0.44) AHRGLSSLC6A4HTR1ADAO

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
EP-0164633-A2 Indole derivatives MERCK PATENT GmbH (DE) 1985-12-18 EP disclosed