SCHEMBL18406643

SCHEMBL18406643

CC(C)(CC(N)=O)CC(C)(C)CN1C(=O)C=CC1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 5/20 0.35
BLM P54132 3/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
GMNN O75496 1/20 0.35
THPO P40225 1/20 0.35
PMP22 Q01453 1/20 0.35
WRN Q14191 2/20 0.35
HPGD P15428 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
FAAH O00519 3/20 0.31
PTGS1 P23219 8/20 0.31
PTGS2 P35354 8/20 0.31
HSP90AA1 P07900 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
SCHEMBL18406642 0.85 MGLL (0.36) MGLLBLMALDH1A1LMNAMAPT
SCHEMBL16016273 0.85 PTGS1 (0.39) MGLLBLMALDH1A1LMNAMAPT
SCHEMBL23900539 0.77 MGLL (0.46) MGLLBLMALDH1A1LMNAMAPT
SCHEMBL23900909 0.76 MGLL (0.44) MGLLBLMALDH1A1LMNAMAPT
SCHEMBL22399174 0.75 MGLL (0.52) MGLLBLMALDH1A1LMNAMAPT
SCHEMBL11981948 0.75 KDM4E (0.39) BLMALDH1A1LMNAGMNNTHPO
SCHEMBL21344801 0.74 BLM (0.37) MGLLBLMALDH1A1LMNAMAPT
SCHEMBL26210982 0.74 BLM (0.33) MGLLBLMALDH1A1LMNAMAPT
SCHEMBL27394996 0.74 ALDH1A1 (0.35) BLMALDH1A1WRNHPGDCYP1A2
SCHEMBL23900609 0.73 BLM (0.42) MGLLBLMALDH1A1LMNAMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3325489-B1 ASYMMETRIC PROCESS FOR THE PREPARATION OF THIENO-INDOLES DERIVATIVES NERVIANO MEDICAL SCIENCES SRL (IT) 2019-11-13 EP disclosed
WO-2017012924-A1 ASYMMETRIC PROCESS FOR THE PREPARATION OF THIENO-INDOLES DERIVATIVES NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2017-01-26 WO disclosed