SCHEMBL9026413

SCHEMBL9026413

CCOC(=O)c1[nH]c(=O)c(CC(C)C)[n+]([O-])c1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
ALDH1A1 P00352 9/20 0.39
HPGD P15428 3/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 2/20 0.39
RECQL P46063 1/20 0.39
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
POLB P06746 2/20 0.38
MAPK1 P28482 2/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2C9 P11712 1/20 0.37
KMT2A Q03164 1/20 0.35
BRD4 O60885 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL9026901 0.86 ALDH1A1 (0.42) LMNAALDH1A1HPGDHTTKDM4E
SCHEMBL9026198 0.84 LMNA (0.39) LMNAALDH1A1HPGDHTTKDM4E
SCHEMBL9164491 0.74 ALDH1A1 (0.34) LMNAALDH1A1HTTKDM4EGAA
SCHEMBL9162313 0.64 ALDH1A1 (0.50) LMNAALDH1A1HPGDHTTKDM4E
SCHEMBL11644263 0.63 CYP1A2 (0.62) LMNAALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL11648747 0.63 CYP1A2 (0.62) LMNAALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL9166031 0.63 ALDH1A1 (0.45) LMNAALDH1A1HPGDHTTKDM4E
SCHEMBL26988884 0.62 ALDH1A1 (0.60) LMNAALDH1A1HPGDHTTKDM4E
SCHEMBL3152177 0.62 ALDH1A1 (0.47) LMNAALDH1A1HPGDKDM4EGAA
SCHEMBL8832147 0.62 ALDH1A1 (0.54) LMNAALDH1A1HPGDHTTKDM4E

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