SCHEMBL9027183

SCHEMBL9027183

CCC(C)c1c(=O)[nH]c(Cc2c[nH]c3ccccc23)c(O)[n+]1[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.42
MAPT P10636 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GPR84 Q9NQS5 2/20 0.42
CYP3A4 P08684 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 3/20 0.41
POLB P06746 2/20 0.41
APAF1 O14727 1/20 0.41
RECQL P46063 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PKM P14618 1/20 0.40
HTR2A P28223 2/20 0.40
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

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
SCHEMBL9026242 0.87 GPR84 (0.41) AHRMAPTMEN1KMT2AGPR84
SCHEMBL9026228 0.83 MEN1 (0.47) AHRMAPTMEN1KMT2AGPR84
SCHEMBL9026254 0.83 MAPT (0.44) AHRMAPTMEN1KMT2AGPR84
SCHEMBL9026490 0.82 KMT2A (0.48) AHRMAPTMEN1KMT2AGPR84
SCHEMBL9027240 0.78 KMT2A (0.52) AHRMAPTMEN1KMT2AGPR84
SCHEMBL9026459 0.77 KMT2A (0.47) AHRMAPTMEN1KMT2AGPR84
SCHEMBL9026589 0.74 AHR (0.42) AHRMAPTMEN1KMT2AGPR84
SCHEMBL9026045 0.74 MAPT (0.43) MAPTMEN1KMT2ACYP3A4TDP1
SCHEMBL9026860 0.73 KMT2A (0.42) AHRMAPTMEN1KMT2AGPR84
SCHEMBL9026540 0.72 AHR (0.42) AHRMAPTMEN1KMT2AGPR84

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