SCHEMBL9026053

SCHEMBL9026053

CC(C)Cc1c(OCc2ccccc2)nc(CO)c(Br)[n+]1[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.36
GCK P35557 1/20 0.34
DAPK1 P53355 1/20 0.34
TRPV3 Q8NET8 1/20 0.33
ATP4A P20648 2/20 0.32
ATP4B P51164 2/20 0.32
PTGES O14684 1/20 0.32
ALOX5 P09917 1/20 0.32
PPARG P37231 1/20 0.32
SQOR Q9Y6N5 1/20 0.32
PDE5A O76074 1/20 0.32
MGMT P16455 1/20 0.31
PIN1 Q13526 1/20 0.31
ADAMTS4 O75173 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
SCHEMBL9027108 0.89 ALDH1A1 (0.37) ALDH1A1LMNAHPGDTSHRMAPK1
SCHEMBL9026029 0.86 ALDH1A1 (0.40) ALDH1A1LMNAHPGDTSHRMAPK1
SCHEMBL9026233 0.86 ALDH1A1 (0.40) ALDH1A1LMNAHPGDTSHRMAPK1
SCHEMBL9026887 0.86 TSHR (0.40) ALDH1A1LMNAHPGDTSHRMAPK1
SCHEMBL9026201 0.84 LMNA (0.38) ALDH1A1LMNAHPGDTSHRMAPK1
SCHEMBL9026548 0.83 HPGD (0.37) ALDH1A1LMNAHPGDTSHRMAPK1
SCHEMBL9026857 0.83 MAPK1 (0.37) ALDH1A1LMNAHPGDTSHRMAPK1
SCHEMBL9470458 0.82 ALDH1A1 (0.36) ALDH1A1LMNAHPGDTSHRMAPK1
SCHEMBL9486062 0.80 ALDH1A1 (0.38) ALDH1A1LMNAHPGDTSHRMAPK1
SCHEMBL9026581 0.80 ALDH1A1 (0.37) 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 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