SCHEMBL9026045

SCHEMBL9026045

CC(C)Cc1c(=O)[nH]c(CCc2c[nH]c3ccccc23)c(O)[n+]1[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
KDM4E B2RXH2 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 2/20 0.43
RECQL P46063 2/20 0.43
APAF1 O14727 1/20 0.43
ALDH1A1 P00352 3/20 0.41
ADRB1 P08588 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR1E P28566 1/20 0.41
SLC6A4 P31645 1/20 0.41
HTR7 P34969 1/20 0.41
HTR2B P41595 1/20 0.41
HTR6 P50406 1/20 0.41

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
SCHEMBL9026254 0.91 MAPT (0.44) MAPTKDM4EL3MBTL1POLBRECQL
SCHEMBL9027577 0.86 MAPT (0.41) MAPTKDM4EL3MBTL1POLBRECQL
SCHEMBL9026609 0.80 HTR6 (0.44) MAPTKDM4EL3MBTL1POLBRECQL
SCHEMBL9026540 0.80 AHR (0.42) MAPTKDM4EL3MBTL1POLBRECQL
SCHEMBL9026589 0.80 AHR (0.42) MAPTKDM4EL3MBTL1POLBRECQL
SCHEMBL9038160 0.80 AHR (0.42) MAPTKDM4EL3MBTL1POLBRECQL
SCHEMBL9026490 0.79 KMT2A (0.48) MAPTKDM4EALDH1A1SLC6A2HTR6
SCHEMBL9025829 0.78 MAPT (0.42) MAPTKDM4EL3MBTL1POLBRECQL
SCHEMBL9026878 0.78 AHR (0.41) MAPTKDM4EL3MBTL1POLBRECQL
SCHEMBL9025880 0.78 HTR2A (0.39) MAPTKDM4EL3MBTL1POLBRECQL

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