SCHEMBL9026233

SCHEMBL9026233

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
HTT P42858 2/20 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
L3MBTL1 Q9Y468 1/20 0.36
PIN1 Q13526 1/20 0.36
RHEB Q15382 1/20 0.34
DAPK1 P53355 1/20 0.34
CNR1 P21554 2/20 0.34
HRH4 Q9H3N8 2/20 0.33
MCL1 Q07820 1/20 0.33
BAK1 Q16611 1/20 0.33
TRPV3 Q8NET8 1/20 0.33
ATP4A P20648 2/20 0.32
ATP4B P51164 2/20 0.32
PPARG P37231 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL9486062 0.91 ALDH1A1 (0.38) ALDH1A1HTTLMNAHPGDTSHR
SCHEMBL9026981 0.89 ALDH1A1 (0.37) ALDH1A1HTTLMNAHPGDTSHR
SCHEMBL9026887 0.86 TSHR (0.40) ALDH1A1HTTLMNAHPGDTSHR
SCHEMBL9026053 0.86 ALDH1A1 (0.40) ALDH1A1HTTLMNAHPGDTSHR
SCHEMBL9026029 0.86 ALDH1A1 (0.40) ALDH1A1HTTLMNAHPGDTSHR
SCHEMBL9026857 0.85 MAPK1 (0.37) ALDH1A1HTTLMNAHPGDTSHR
SCHEMBL9026201 0.84 LMNA (0.38) ALDH1A1HTTLMNAHPGDTSHR
SCHEMBL9486058 0.84 ALDH1A1 (0.45) ALDH1A1HTTLMNAHPGDTSHR
SCHEMBL9470458 0.84 ALDH1A1 (0.36) ALDH1A1HTTLMNAHPGDTSHR
SCHEMBL9027291 0.84 ALDH1A1 (0.34) ALDH1A1HTTLMNAHPGDTSHR

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