SCHEMBL4414660

SCHEMBL4414660

CCCCCc1nnn(-c2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.50
GPR84 Q9NQS5 1/20 0.45
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
CYP19A1 P11511 6/20 0.41
HSD11B1 P28845 1/20 0.41
ABCG2 Q9UNQ0 2/20 0.41
CETP P11597 1/20 0.40
ABCB1 P08183 1/20 0.39
MIF P14174 1/20 0.39
DAGLA Q9Y4D2 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL4409336 0.98 HPGD (0.49) HPGDGPR84CNR1CNR2CYP19A1
SCHEMBL4412019 0.95 HPGD (0.51) HPGDGPR84CNR1CNR2CYP19A1
SCHEMBL4409279 0.88 HPGD (0.54) HPGDCYP19A1ABCG2ABCB1DAGLA
SCHEMBL3229757 0.84 HPGD (0.50) HPGDABCG2DAGLA
SCHEMBL4407303 0.81 HPGD (0.57) HPGDABCG2ABCB1NPC1RAB9A
SCHEMBL512253 0.75 HPGD (0.63) HPGDABCG2ABCB1NPC1RAB9A
SCHEMBL4408838 0.75 CYP19A1 (0.52) GPR84CYP19A1HSD11B1DAGLANPC1
SCHEMBL11592722 0.74 CNR1 (0.44) HPGDGPR84CNR1CNR2HSD11B1
SCHEMBL513770 0.74 HPGD (0.57) HPGDABCG2ABCB1NPC1RAB9A
SCHEMBL4413287 0.74 CYP19A1 (0.55) GPR84CYP19A1HSD11B1DAGLANPC1

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