SCHEMBL9026426

SCHEMBL9026426

CC(C)Cc1c(=O)[nH]c(Cc2c[nH]c3ccccc23)c(S(C)(=O)=O)[n+]1[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.42
NR3C1 P04150 11/20 0.40
NR3C2 P08235 4/20 0.39
PGR P06401 3/20 0.39
ADRB1 P08588 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR1E P28566 1/20 0.39
SLC6A4 P31645 1/20 0.39
HTR7 P34969 1/20 0.39
HTR2B P41595 1/20 0.39
HTR6 P50406 1/20 0.39
SLC6A3 Q01959 1/20 0.39
GPR84 Q9NQS5 3/20 0.39
MAPT P10636 2/20 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
SCHEMBL9026589 0.85 AHR (0.42) AHRNR3C1NR3C2PGRADRB1
SCHEMBL9038160 0.85 AHR (0.42) AHRNR3C1NR3C2PGRADRB1
SCHEMBL9026609 0.85 HTR6 (0.44) AHRNR3C1ADRB1HTR1AADRA2A
SCHEMBL9026254 0.85 MAPT (0.44) AHRADRB1HTR1AADRA2ASLC6A2
SCHEMBL9026540 0.85 AHR (0.42) AHRNR3C1NR3C2PGRADRB1
SCHEMBL9026878 0.83 AHR (0.41) AHRNR3C1NR3C2PGRADRB1
SCHEMBL9025829 0.83 MAPT (0.42) AHRNR3C1ADRB1HTR1AADRA2A
SCHEMBL9026286 0.82 AHR (0.40) AHRNR3C1NR3C2PGRADRB1
SCHEMBL9486584 0.82 AHR (0.40) AHRNR3C1ADRB1HTR1AADRA2A
SCHEMBL9026487 0.81 AHR (0.39) AHRADRB1HTR1AADRA2ASLC6A2

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
EP-0411150-B1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMA CO LTD (JP) 1996-11-27 EP disclosed
US-5238938-A Nephrosis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-08-24 US disclosed
EP-0411150-A1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-02-06 EP disclosed