SCHEMBL4413792

SCHEMBL4413792

CCCCCCn1nnnc1-c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
POLB P06746 1/20 0.60
HTT P42858 1/20 0.60
P2RX7 Q99572 1/20 0.55
HSD11B1 P28845 3/20 0.54
CYP1A2 P05177 2/20 0.54
MEN1 O00255 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
KMT2A Q03164 1/20 0.54
TSHR P16473 1/20 0.53
SLC9A1 P19634 3/20 0.51
SLC6A2 P23975 1/20 0.51
SLC6A4 P31645 1/20 0.51
SLC6A3 Q01959 1/20 0.51
NR1H3 Q13133 1/20 0.50
MAPT P10636 1/20 0.47

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
SCHEMBL4407364 0.98 ALDH1A1 (0.62) ALDH1A1POLBHTTP2RX7HSD11B1
SCHEMBL4409130 0.94 ALDH1A1 (0.64) ALDH1A1POLBHTTP2RX7HSD11B1
SCHEMBL4408289 0.87 ALDH1A1 (0.71) ALDH1A1POLBHTTP2RX7HSD11B1
SCHEMBL10635559 0.84 ALDH1A1 (0.60) ALDH1A1POLBHTTP2RX7HSD11B1
SCHEMBL10628893 0.84 ALDH1A1 (0.60) ALDH1A1POLBHTTP2RX7HSD11B1
SCHEMBL8653063 0.83 ALDH1A1 (0.62) ALDH1A1POLBHTTP2RX7HSD11B1
SCHEMBL8653064 0.83 ALDH1A1 (0.62) ALDH1A1POLBHTTP2RX7HSD11B1
SCHEMBL10635294 0.83 ALDH1A1 (0.62) ALDH1A1POLBHTTP2RX7HSD11B1
SCHEMBL8758980 0.81 CYP1A2 (0.58) ALDH1A1POLBHTTP2RX7HSD11B1
Hydrochloric Acid SCHEMBL8088159 0.81 ALDH1A1 (0.60) ALDH1A1POLBHTTP2RX7HSD11B1

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