SCHEMBL4403609

SCHEMBL4403609

CC(C)(C)Cn1nnnc1C(Cl)(Cl)Cl

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
HTT P42858 2/20 0.33
CACNA1B Q00975 2/20 0.33
APBA1 Q02410 2/20 0.33
HSP90AA1 P07900 1/20 0.33
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
CCR6 P51684 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
SCHEMBL4408965 0.85 ALDH1A1 (0.31) ALDH1A1MAPTHPGDHTTCACNA1B
SCHEMBL4407082 0.83 LMNA (0.33) ALDH1A1LMNAKMT2A
SCHEMBL4415158 0.80 LMNA (0.31) LMNAKMT2A
SCHEMBL4403852 0.79 ALDH1A1 (0.44) ALDH1A1MAPTHPGDHTTCACNA1B
SCHEMBL4409305 0.78 LMNA (0.31) LMNAKMT2A
SCHEMBL4407118 0.76 ALDH1A1 (0.45) ALDH1A1HPGDLMNAKMT2A
SCHEMBL4412055 0.75 LMNA (0.33) ALDH1A1LMNAKMT2A
SCHEMBL4405738 0.74 CNR2 (0.39) ALDH1A1MAPTHPGDHTTCACNA1B
SCHEMBL4408015 0.73 KMT2A (0.40) ALDH1A1MAPTHTTLMNAKMT2A
SCHEMBL4405881 0.72 SLC9A1 (0.39) ALDH1A1HTTLMNAKMT2A

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-1859782-B1 Composition for coloring and/or lightening human hair comprising tetrazoles HENKEL AG & CO KGAA (DE) 2009-12-30 EP disclosed
EP-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed