SCHEMBL9026286

SCHEMBL9026286

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.40
HTR2A P28223 2/20 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
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
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GPR84 Q9NQS5 2/20 0.39
CYP3A4 P08684 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
SCHEMBL9026609 0.85 HTR6 (0.44) AHRHTR2AADRB1HTR1AADRA2A
SCHEMBL9026589 0.85 AHR (0.42) AHRHTR2AADRB1HTR1AADRA2A
SCHEMBL9026540 0.85 AHR (0.42) AHRHTR2AADRB1HTR1AADRA2A
SCHEMBL9038160 0.85 AHR (0.42) AHRHTR2AADRB1HTR1AADRA2A
SCHEMBL9026254 0.85 MAPT (0.44) AHRHTR2AADRB1HTR1AADRA2A
SCHEMBL9026878 0.83 AHR (0.41) AHRHTR2AADRB1HTR1AADRA2A
SCHEMBL9025829 0.83 MAPT (0.42) AHRHTR2AADRB1HTR1AADRA2A
SCHEMBL9026426 0.82 AHR (0.42) AHRHTR2AADRB1HTR1AADRA2A
SCHEMBL9486584 0.82 AHR (0.40) AHRHTR2AADRB1HTR1AADRA2A
SCHEMBL9026487 0.81 AHR (0.39) AHRHTR2AADRB1HTR1AADRA2A

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