SCHEMBL9026342

SCHEMBL9026342

COc1c(C(C)c2c[nH]c3ccccc23)[nH]c(=O)c(CC(C)C)[n+]1[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
GPR84 Q9NQS5 3/20 0.37
FFAR1 O14842 2/20 0.37
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36
NR3C2 P08235 1/20 0.36
AR P10275 1/20 0.36
GAA P10253 3/20 0.35
MGAM O43451 2/20 0.35
SI P14410 2/20 0.35
MGAM2 Q2M2H8 2/20 0.35
POLB P06746 2/20 0.35
KDM4E B2RXH2 1/20 0.35
APAF1 O14727 1/20 0.35
RECQL P46063 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL9025880 0.85 HTR2A (0.39) MAPTNPSR1HTR2AHTR2CHTR2B
SCHEMBL9025829 0.80 MAPT (0.42) MAPTHTR2AHTR2CHTR2BGPR84
SCHEMBL9027577 0.79 MAPT (0.41) MAPTHTR2AHTR2CHTR2BPOLB
SCHEMBL9687431 0.78 MAPT (0.38) MAPTNPSR1GAAMGAMSI
SCHEMBL9027351 0.78 SMN1; SMN2 (0.44) MAPTNPSR1GPR84POLBKDM4E
SCHEMBL9026487 0.74 AHR (0.39) MAPTNPSR1HTR2AHTR2CHTR2B
SCHEMBL9486584 0.73 AHR (0.40) MAPTHTR2AHTR2CHTR2BGPR84
SCHEMBL9025439 0.72 KDM4E (0.33) KDM4EMEN1KMT2ATDP1HPGD
SCHEMBL9688265 0.72 KMT2A (0.50) MAPTMEN1KMT2ATDP1HPGD
SCHEMBL9025798 0.71 CHRNB2 (0.34) MAPTHTR2AHTR2CKDM4EMEN1

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