SCHEMBL4409289

SCHEMBL4409289

c1ccc(Cc2nnn(-c3ccccc3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.55
CNR2 P34972 4/20 0.45
TRPV1 Q8NER1 3/20 0.45
CNR1 P21554 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
HDAC6 Q9UBN7 1/20 0.43
MGLL Q99685 2/20 0.41
DAGLA Q9Y4D2 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
CALM1 P0DP23 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 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
SCHEMBL9546643 0.89 HPGD (0.49) HPGDCNR2TRPV1CNR1ABCG2
SCHEMBL512253 0.81 HPGD (0.63) HPGDABCG2NPC1RAB9AMAPT
SCHEMBL3229757 0.80 HPGD (0.50) HPGDABCG2DAGLAADORA2AADORA2B
SCHEMBL4407303 0.79 HPGD (0.57) HPGDABCG2NPC1RAB9AMAPT
SCHEMBL513770 0.79 HPGD (0.57) HPGDABCG2NPC1RAB9AMAPT
SCHEMBL5739285 0.78 HPGD (0.49) HPGDABCG2NPC1RAB9AMAPT
SCHEMBL4409279 0.76 HPGD (0.54) HPGDABCG2NPC1RAB9AMAPT
SCHEMBL4408018 0.76 TRPV1 (0.46) CNR2TRPV1CNR1RAB9AHDAC6
SCHEMBL4406015 0.76 CNR2 (0.50) CNR2TRPV1CNR1HDAC6MGLL
SCHEMBL4409244 0.76 HDAC6 (0.47) CNR2TRPV1CNR1RAB9AHDAC6

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