SCHEMBL4412042

SCHEMBL4412042

CC(C)(C)Cc1nnn(-c2ccccc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.53
ABCG2 Q9UNQ0 3/20 0.42
NPC1 O15118 8/20 0.40
RAB9A P51151 6/20 0.40
MAPT P10636 3/20 0.39
PKM P14618 2/20 0.39
KDM4E B2RXH2 5/20 0.38
LMNA P02545 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
KAT2B Q92831 1/20 0.35
ABCB1 P08183 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
STAT1 P42224 1/20 0.34
KMT2A Q03164 1/20 0.34
P2RX7 Q99572 1/20 0.34
MMP2 P08253 1/20 0.34

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
SCHEMBL4407303 0.80 HPGD (0.57) HPGDABCG2NPC1RAB9AMAPT
SCHEMBL512253 0.78 HPGD (0.63) HPGDABCG2NPC1RAB9AMAPT
SCHEMBL4409279 0.77 HPGD (0.54) HPGDABCG2NPC1RAB9AMAPT
SCHEMBL513770 0.77 HPGD (0.57) HPGDABCG2NPC1RAB9AMAPT
SCHEMBL4405944 0.76 HPGD (0.53) HPGDABCG2NPC1RAB9AMAPT
SCHEMBL4409289 0.75 HPGD (0.55) HPGDABCG2NPC1RAB9AMAPT
SCHEMBL4412019 0.75 HPGD (0.51) HPGDABCG2NPC1RAB9AMAPT
SCHEMBL4412239 0.73 RAB9A (0.54) NPC1RAB9ALMNAALDH1A1GRN
SCHEMBL4414660 0.73 HPGD (0.50) HPGDABCG2NPC1RAB9AABCB1
SCHEMBL4408946 0.73 ABCG2 (0.46) HPGDABCG2NPC1RAB9AMAPT

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