SCHEMBL4412019

SCHEMBL4412019

CCCCc1nnn(-c2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.51
ABCG2 Q9UNQ0 3/20 0.41
ABCB1 P08183 1/20 0.40
DAGLA Q9Y4D2 1/20 0.40
HSD11B1 P28845 1/20 0.40
GPR84 Q9NQS5 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 3/20 0.39
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAOA P21397 1/20 0.37
TSHR P16473 1/20 0.37
CYP19A1 P11511 1/20 0.36

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
SCHEMBL4414660 0.95 HPGD (0.50) HPGDABCG2ABCB1DAGLAHSD11B1
SCHEMBL4409336 0.94 HPGD (0.49) HPGDABCG2ABCB1HSD11B1GPR84
SCHEMBL4409279 0.90 HPGD (0.54) HPGDABCG2ABCB1DAGLANPC1
SCHEMBL4407303 0.82 HPGD (0.57) HPGDABCG2ABCB1NPC1RAB9A
SCHEMBL3229757 0.82 HPGD (0.50) HPGDABCG2DAGLAMAOA
SCHEMBL512253 0.77 HPGD (0.63) HPGDABCG2ABCB1NPC1RAB9A
SCHEMBL513770 0.75 HPGD (0.57) HPGDABCG2ABCB1NPC1RAB9A
SCHEMBL4405944 0.75 HPGD (0.53) HPGDABCG2CNR1CNR2NPC1
SCHEMBL4412042 0.75 HPGD (0.53) HPGDABCG2ABCB1NPC1RAB9A
SCHEMBL4404217 0.74 RAB9A (0.53) DAGLAHSD11B1NPC1RAB9ACYP19A1

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