SCHEMBL9026548

SCHEMBL9026548

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
ADAMTS4 O75173 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
MMP13 P45452 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL9026748 0.90 CA12 (0.35) HPGDALDH1A1LMNATSHRMAPK1
SCHEMBL9026414 0.89 CA12 (0.34) HPGDALDH1A1LMNATSHRMAPK1
SCHEMBL9026053 0.83 ALDH1A1 (0.40) HPGDALDH1A1LMNATSHRMAPK1
SCHEMBL9026233 0.83 ALDH1A1 (0.40) HPGDALDH1A1LMNATSHRMAPK1
SCHEMBL9026887 0.83 TSHR (0.40) HPGDALDH1A1LMNATSHRMAPK1
SCHEMBL9026029 0.83 ALDH1A1 (0.40) HPGDALDH1A1LMNATSHRMAPK1
SCHEMBL9026201 0.81 LMNA (0.38) HPGDALDH1A1LMNATSHRMAPK1
SCHEMBL9026672 0.81 GPR84 (0.40) L3MBTL1MMP2
SCHEMBL9026447 0.80 CA1 (0.34) HPGDALDH1A1LMNATSHRMAPK1
SCHEMBL9026857 0.79 MAPK1 (0.37) HPGDALDH1A1LMNATSHRMAPK1

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