SCHEMBL4403632

SCHEMBL4403632

CC(C)Cn1nnnc1-c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.60
ALDH1A1 P00352 5/20 0.57
POLB P06746 1/20 0.57
HTT P42858 1/20 0.57
MAPT P10636 1/20 0.51
TRPV1 Q8NER1 2/20 0.51
P2RX7 Q99572 3/20 0.50
HSD11B1 P28845 2/20 0.50
HDAC6 Q9UBN7 1/20 0.48
TSHR P16473 2/20 0.46
ALOX15 P16050 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
CNR1 P21554 1/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL13625680 0.83 ALDH1A1 (0.62) CNR2ALDH1A1POLBHTTMAPT
SCHEMBL7426856 0.82 MEN1 (0.47) CNR2ALDH1A1POLBHTTMAPT
Hydrochloric Acid SCHEMBL29396567 0.81 MEN1 (0.46) CNR2ALDH1A1POLBHTTMAPT
SCHEMBL12761225 0.80 ALDH1A1 (0.62) ALDH1A1POLBHTTP2RX7HSD11B1
SCHEMBL1154434 0.80 ALDH1A1 (0.62) ALDH1A1POLBHTTP2RX7HSD11B1
SCHEMBL7476537 0.79 CNR2 (0.47) CNR2ALDH1A1POLBHTTMAPT
SCHEMBL10629101 0.79 ALDH1A1 (0.53) CNR2ALDH1A1POLBHTTP2RX7
SCHEMBL4408289 0.77 ALDH1A1 (0.71) ALDH1A1POLBHTTP2RX7HSD11B1
SCHEMBL9603257 0.77 ALDH1A1 (0.58) CNR2ALDH1A1POLBHTTP2RX7
SCHEMBL5651126 0.77 ALDH1A1 (0.62) 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