SCHEMBL9023256

SCHEMBL9023256

CCCC(C(=O)C(C)(C)Cc1ccc(C)cc1)n1cncn1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
KMT2A Q03164 3/20 0.46
HSP90AA1 P07900 1/20 0.46
CYP3A4 P08684 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
MEN1 O00255 2/20 0.37
SLC6A3 Q01959 3/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
PDE4B Q07343 1/20 0.36
PPARG P37231 1/20 0.35
SMO Q99835 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CYP19A1 P11511 1/20 0.33
CYP26A1 O43174 2/20 0.32
LMNA P02545 1/20 0.32
CYP2C9 P11712 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
SCHEMBL9023287 0.90 CYP3A4 (0.51) MAPTKMT2AHSP90AA1CYP3A4CYP1A2
SCHEMBL9823725 0.80 CYP3A4 (0.53) MAPTKMT2AHSP90AA1CYP3A4CYP1A2
SCHEMBL12415427 0.78 MAPT (0.60) MAPTKMT2AHSP90AA1CYP3A4CYP1A2
SCHEMBL10745423 0.78 MAPT (0.61) MAPTKMT2AHSP90AA1CYP3A4CYP1A2
SCHEMBL10727541 0.77 MAPT (0.79) MAPTKMT2AHSP90AA1CYP3A4CYP1A2
SCHEMBL10976246 0.76 KMT2A (0.45) MAPTKMT2AHSP90AA1CYP3A4CYP1A2
SCHEMBL9389925 0.76 MAPT (0.40) MAPTKMT2AHSP90AA1CYP3A4CYP1A2
SCHEMBL9862847 0.75 CYP3A4 (0.55) MAPTKMT2AHSP90AA1CYP3A4CYP1A2
SCHEMBL9388155 0.73 MAPT (0.44) MAPTKMT2AHSP90AA1CYP3A4MEN1
SCHEMBL10765462 0.73 MAPT (0.44) MAPTKMT2AHSP90AA1CYP3A4MEN1

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-0702676-A1 CYCLOBUTYLAZOLES BAYER AG (DE) 1996-03-27 EP disclosed
WO-1994029281-A1 CYCLOBUTYLAZOLES BAYER AKTIENGESELLSCHAFT (DE) 1994-12-22 WO disclosed