SCHEMBL9026486

SCHEMBL9026486

COc1c(CI)nc(OCc2ccccc2)c(CC(C)C)[n+]1[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
DAPK1 P53355 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
ATP4A P20648 1/20 0.32
ATP4B P51164 1/20 0.32
MAOB P27338 1/20 0.32
PDGFRB P09619 1/20 0.31
PDGFRA P16234 1/20 0.31
PDE5A O76074 1/20 0.31
MGMT P16455 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31
PIN1 Q13526 1/20 0.31

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
SCHEMBL9026771 0.90 ALDH1A1 (0.36) ALDH1A1LMNAHTTHPGDTSHR
SCHEMBL9026581 0.90 ALDH1A1 (0.37) ALDH1A1LMNAHTTHPGDTSHR
SCHEMBL9026029 0.90 ALDH1A1 (0.40) ALDH1A1LMNAHTTHPGDTSHR
SCHEMBL9027027 0.88 LMNA (0.34) ALDH1A1LMNAHTTHPGDTSHR
SCHEMBL9471332 0.87 TLR8 (0.35) ALDH1A1LMNAHTTHPGDTSHR
SCHEMBL9026981 0.85 ALDH1A1 (0.37) ALDH1A1LMNAHTTHPGDTSHR
SCHEMBL9027108 0.85 ALDH1A1 (0.37) ALDH1A1LMNAHTTHPGDTSHR
SCHEMBL27257382 0.85 ALDH1A1 (0.37) ALDH1A1LMNAHTTHPGDTSHR
SCHEMBL9026964 0.85 CSF1R (0.34) ALDH1A1LMNAHPGDMAPK1L3MBTL1
SCHEMBL9025945 0.84 LMNA (0.36) ALDH1A1LMNAHTTHPGDTSHR

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