SCHEMBL7104933

SCHEMBL7104933

CCC(=O)C(C)n1cncn1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
EGLN3 Q9H6Z9 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 4/20 0.36
HSP90AA1 P07900 1/20 0.36
MEN1 O00255 3/20 0.36
LMNA P02545 2/20 0.36
CYP19A1 P11511 5/20 0.36
CYP3A4 P08684 1/20 0.35
PDE4D Q08499 1/20 0.34
FAAH O00519 1/20 0.33
MGLL Q99685 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
SCHEMBL28054806 0.80 CYP19A1 (0.40) MAPTEGLN3ALDH1A1KMT2AHSP90AA1
SCHEMBL10900677 0.80 MAPT (0.44) MAPTEGLN3ALDH1A1KMT2AHSP90AA1
SCHEMBL10361017 0.79 ALDH1A1 (0.46) MAPTALDH1A1KMT2AHSP90AA1MEN1
SCHEMBL7197056 0.79 MAPT (0.42) MAPTEGLN3ALDH1A1KMT2AHSP90AA1
SCHEMBL9366536 0.79 CYP19A1 (0.39) MAPTEGLN3ALDH1A1KMT2AHSP90AA1
SCHEMBL9367760 0.75 MEN1 (0.49) MAPTALDH1A1KMT2AHSP90AA1MEN1
SCHEMBL9746923 0.75 MAPT (0.44) MAPTALDH1A1KMT2AHSP90AA1MEN1
SCHEMBL2830866 0.74 PDE4D (0.39) MAPTALDH1A1KMT2AHSP90AA1MEN1
SCHEMBL9747750 0.74 MAPT (0.52) MAPTALDH1A1KMT2AHSP90AA1MEN1
Hydrochloric Acid SCHEMBL10735161 0.74 MAPT (0.43) MAPTALDH1A1KMT2AHSP90AA1MEN1

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-1343785-A2 USE OF SUBSTITUTED IMIDAZOAZINES, NOVEL IMIDAZOAZINES, METHODS FOR THE PRODUCTION THEREOF, AND AGENTS CONTAINING THESE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2003-09-17 EP disclosed
WO-2002048146-A2 USE OF SUBSTITUTED IMIDAZOAZINES, NOVEL IMIDAZOAZINES, METHODS FOR THE PRODUCTION THEREOF, AND AGENTS CONTAINING THESE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2002-06-20 WO disclosed
EP-0144033-A2 Substituted 5-cycloalkyl-2,2-dimethyl-pentan-3-one BAYER AG (DE) 1985-06-12 EP disclosed