SCHEMBL4409336

SCHEMBL4409336

CCCCCCc1nnn(-c2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.49
GPR84 Q9NQS5 1/20 0.44
CYP19A1 P11511 6/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
CETP P11597 1/20 0.43
HSD11B1 P28845 1/20 0.40
ABCG2 Q9UNQ0 2/20 0.40
ABCB1 P08183 1/20 0.39
KCNH2 Q12809 1/20 0.39

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 0.98 HPGD (0.50) HPGDGPR84CYP19A1CNR1CNR2
SCHEMBL4412019 0.94 HPGD (0.51) HPGDGPR84CYP19A1CNR1CNR2
SCHEMBL4409279 0.87 HPGD (0.54) HPGDCYP19A1ABCG2ABCB1
SCHEMBL3229757 0.86 HPGD (0.50) HPGDABCG2
SCHEMBL4407303 0.80 HPGD (0.57) HPGDABCG2ABCB1
SCHEMBL4413287 0.76 CYP19A1 (0.55) GPR84CYP19A1HSD11B1
SCHEMBL6943095 0.76 SOAT1 (0.37) CYP19A1KCNH2
SCHEMBL512253 0.74 HPGD (0.63) HPGDABCG2ABCB1
SCHEMBL4408838 0.74 CYP19A1 (0.52) GPR84CYP19A1HSD11B1
SCHEMBL11592722 0.73 CNR1 (0.44) HPGDGPR84CNR1CNR2CETP

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