SCHEMBL9027291

SCHEMBL9027291

C/C=C\OCc1nc(OCc2ccccc2)c(CC(C)C)[n+]([O-])c1Cl

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
PIN1 Q13526 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DAPK1 P53355 1/20 0.31
HRH4 Q9H3N8 2/20 0.31
GCK P35557 1/20 0.30

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
SCHEMBL9027297 1.00 ALDH1A1 (0.34) ALDH1A1LMNAHPGDTSHRMAPK1
SCHEMBL9026233 0.84 ALDH1A1 (0.40) ALDH1A1LMNAHPGDTSHRMAPK1
SCHEMBL9026981 0.84 ALDH1A1 (0.37) ALDH1A1LMNAHPGDTSHRMAPK1
SCHEMBL9027414 0.83 ALDH1A1 (0.33) ALDH1A1LMNAHPGDTSHRMAPK1
SCHEMBL9486062 0.82 ALDH1A1 (0.38) ALDH1A1LMNAHPGDTSHRMAPK1
SCHEMBL9026031 0.82 PIN1 (0.35) ALDH1A1LMNAHPGDTSHRMAPK1
SCHEMBL9486058 0.78 ALDH1A1 (0.45) ALDH1A1LMNAHPGDTSHRMAPK1
SCHEMBL9026594 0.76 KDM4C (0.35) ALDH1A1LMNAHPGDTSHRMAPK1
SCHEMBL9027840 0.75 KMT2A (0.40) ALDH1A1LMNATSHRMAPK1HTT
SCHEMBL9486072 0.74 HPGD (0.34) ALDH1A1LMNAHPGDTSHRMAPK1

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