SCHEMBL9026581

SCHEMBL9026581

COCc1nc(OCc2ccccc2)c(CC(C)C)[n+]([O-])c1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
DAPK1 P53355 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
ATP4A P20648 1/20 0.32
ATP4B P51164 1/20 0.32
MAOB P27338 1/20 0.32
PDGFRB P09619 1/20 0.32
PDGFRA P16234 1/20 0.32
PDE5A O76074 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 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
SCHEMBL9026029 0.91 ALDH1A1 (0.40) ALDH1A1LMNAHTTHPGDTSHR
SCHEMBL9026486 0.90 ALDH1A1 (0.36) ALDH1A1LMNAHTTHPGDTSHR
SCHEMBL9026447 0.87 CA1 (0.34) ALDH1A1LMNAHTTHPGDTSHR
SCHEMBL9026201 0.82 LMNA (0.38) ALDH1A1LMNAHTTHPGDTSHR
SCHEMBL9027006 0.82 ALDH1A1 (0.38) ALDH1A1LMNAHTTHPGDTSHR
SCHEMBL9026362 0.82 KDM4C (0.35) HTR2AHTR2CSLC6A4
SCHEMBL9026948 0.81 LMNA (0.39) ALDH1A1LMNAHTTHPGDTSHR
SCHEMBL9026147 0.81 KMT2A (0.40) ALDH1A1LMNAMAPK1L3MBTL1HTR2A
SCHEMBL9026857 0.81 MAPK1 (0.37) ALDH1A1LMNAHTTHPGDTSHR
SCHEMBL9026771 0.80 ALDH1A1 (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 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