SCHEMBL4409130

SCHEMBL4409130

CCCCn1nnnc1-c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.64
POLB P06746 1/20 0.64
HTT P42858 1/20 0.64
TSHR P16473 1/20 0.60
NR1H3 Q13133 1/20 0.56
HSD11B1 P28845 4/20 0.56
CYP1A2 P05177 2/20 0.56
MEN1 O00255 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 1/20 0.56
P2RX7 Q99572 3/20 0.54
SLC6A2 P23975 1/20 0.53
SLC6A4 P31645 1/20 0.53
SLC6A3 Q01959 1/20 0.53
SLC9A1 P19634 1/20 0.49
HDAC6 Q9UBN7 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 0.95 ALDH1A1 (0.62) ALDH1A1POLBHTTTSHRNR1H3
SCHEMBL4413792 0.94 ALDH1A1 (0.60) ALDH1A1POLBHTTTSHRNR1H3
SCHEMBL4408289 0.90 ALDH1A1 (0.71) ALDH1A1POLBHTTTSHRHSD11B1
SCHEMBL1154434 0.82 ALDH1A1 (0.62) ALDH1A1POLBHTTTSHRHSD11B1
SCHEMBL8653063 0.82 ALDH1A1 (0.62) ALDH1A1POLBHTTHSD11B1CYP1A2
SCHEMBL10635294 0.82 ALDH1A1 (0.62) ALDH1A1POLBHTTHSD11B1CYP1A2
SCHEMBL8653064 0.82 ALDH1A1 (0.62) ALDH1A1POLBHTTHSD11B1CYP1A2
SCHEMBL22205123 0.81 ALDH1A1 (0.57) ALDH1A1POLBHTTTSHRHSD11B1
SCHEMBL10628893 0.81 ALDH1A1 (0.60) ALDH1A1POLBHTTHSD11B1CYP1A2
SCHEMBL10635559 0.81 ALDH1A1 (0.60) ALDH1A1POLBHTTHSD11B1CYP1A2

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 4 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
EP-1027399-A1 TRYPTICENE DERIVATIVES AND THEIR USE IN OPTOELECTRONIC DEVICES, IN PARTICULAR AS ELECTROLUMINESCENT MATERIALS Axiva GmbH (DE) 2000-08-16 EP disclosed
WO-1999019419-A1 TRYPTICENE DERIVATIVES AND THEIR USE IN OPTOELECTRONIC DEVICES, IN PARTICULAR AS ELECTROLUMINESCENT MATERIALS AXIVA GMBH (DE) 1999-04-22 WO disclosed