SCHEMBL9025945

SCHEMBL9025945

CSc1c(CI)nc(OCc2ccccc2)c(CC(C)C)[n+]1[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
DAPK1 P53355 1/20 0.33
PPARG P37231 1/20 0.33
GCK P35557 1/20 0.32
ATP4A P20648 1/20 0.32
ATP4B P51164 1/20 0.32
PDE5A O76074 1/20 0.31
MGMT P16455 2/20 0.31
PIN1 Q13526 1/20 0.31
HRH4 Q9H3N8 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
CDK1 P06493 1/20 0.30
CCNB1 P14635 1/20 0.30
CCNA2 P20248 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
SCHEMBL27257382 0.85 ALDH1A1 (0.37) LMNATSHRALDH1A1HPGDMAPK1
SCHEMBL9027108 0.85 ALDH1A1 (0.37) LMNATSHRALDH1A1HPGDMAPK1
SCHEMBL9026981 0.85 ALDH1A1 (0.37) LMNATSHRALDH1A1HPGDMAPK1
SCHEMBL9026486 0.84 ALDH1A1 (0.36) LMNATSHRALDH1A1HPGDMAPK1
SCHEMBL9026206 0.84 CA12 (0.34) LMNATSHRALDH1A1HPGDMAPK1
SCHEMBL9026771 0.83 ALDH1A1 (0.36) LMNATSHRALDH1A1HPGDMAPK1
SCHEMBL9026748 0.82 CA12 (0.35) LMNATSHRALDH1A1HPGDMAPK1
SCHEMBL9027027 0.82 LMNA (0.34) LMNATSHRALDH1A1HPGDMAPK1
SCHEMBL9471332 0.81 TLR8 (0.35) LMNATSHRALDH1A1HPGDMAPK1
SCHEMBL9026078 0.80 KMT2A (0.40) LMNATSHRALDH1A1MAPK1L3MBTL1

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 5 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
CN-1024797-C Indole derivatives OTSUKA CHEMICAL CO LTD (JP) 1994-06-01 CN 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