SCHEMBL9026706

SCHEMBL9026706

CCOC(=O)c1nc(OCc2ccccc2)c(CC(C)C)[n+]([O-])c1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.39
ALDH1A1 P00352 5/20 0.39
NPC1 O15118 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
HSP90AA1 P07900 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
MAPT P10636 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL27258448 0.87 LMNA (0.39) RAB9AALDH1A1NPC1SMN1; SMN2TSHR
SCHEMBL9027220 0.85 PTGS1 (0.39) RAB9AALDH1A1L3MBTL1LMNAKMT2A
SCHEMBL9026887 0.81 TSHR (0.40) ALDH1A1TSHRNFKB1L3MBTL1LMNA
SCHEMBL27316188 0.81 LMNA (0.41) ALDH1A1TSHRNFKB1L3MBTL1LMNA
SCHEMBL9026948 0.78 LMNA (0.39) RAB9AALDH1A1NPC1SMN1; SMN2TSHR
SCHEMBL9027006 0.77 ALDH1A1 (0.38) ALDH1A1TSHRL3MBTL1LMNAHPGD
SCHEMBL9026029 0.72 ALDH1A1 (0.40) ALDH1A1TSHRL3MBTL1LMNAMAPT
SCHEMBL9026053 0.72 ALDH1A1 (0.40) ALDH1A1TSHRL3MBTL1LMNAHPGD
SCHEMBL9026233 0.72 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2TSHRL3MBTL1LMNA
SCHEMBL10003005 0.72 MEN1 (0.47) RAB9AALDH1A1NPC1SMN1; SMN2TSHR

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 4 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
CN-1049155-A INDOLE DERIVATIVES OTSUKA CHEMICAL CO LTD (JP) 1991-02-13 CN 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