SCHEMBL9025880

SCHEMBL9025880

CC(C)Cc1c(=O)[nH]c(C(C)c2c[nH]c3ccccc23)c(O)[n+]1[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
GPR84 Q9NQS5 3/20 0.39
FFAR1 O14842 2/20 0.39
MAPT P10636 3/20 0.36
POLB P06746 2/20 0.36
KDM4E B2RXH2 1/20 0.36
APAF1 O14727 1/20 0.36
RECQL P46063 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 3/20 0.36
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
PKM P14618 2/20 0.34
DNMT1 P26358 2/20 0.34
MGAM O43451 2/20 0.34
SI P14410 2/20 0.34
MGAM2 Q2M2H8 2/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL9026342 0.85 MAPT (0.39) HTR2AHTR2CHTR2BGPR84FFAR1
SCHEMBL9026254 0.79 MAPT (0.44) HTR2AHTR2CHTR2BGPR84MAPT
SCHEMBL9026045 0.78 MAPT (0.43) HTR2AHTR2CHTR2BMAPTPOLB
SCHEMBL9026400 0.72 SIRT2 (0.37) HTR2AHTR2CHTR2BMAPTPOLB
SCHEMBL9687431 0.70 MAPT (0.38) MAPTPOLBKDM4EAPAF1RECQL
SCHEMBL9038160 0.70 AHR (0.42) HTR2AHTR2CHTR2BGPR84MAPT
SCHEMBL9026589 0.70 AHR (0.42) HTR2AHTR2CHTR2BGPR84MAPT
SCHEMBL9026540 0.70 AHR (0.42) HTR2AHTR2CHTR2BGPR84MAPT
SCHEMBL9026609 0.70 HTR6 (0.44) HTR2AHTR2CHTR2BGPR84MAPT
SCHEMBL9026487 0.69 AHR (0.39) HTR2AHTR2CHTR2BGPR84MAPT

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