SCHEMBL4408946

SCHEMBL4408946

CC(C)(C)c1nnn(-c2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 4/20 0.46
NPC1 O15118 5/20 0.42
RAB9A P51151 4/20 0.42
HPGD P15428 3/20 0.42
KDM4E B2RXH2 3/20 0.42
MAPT P10636 2/20 0.41
PKM P14618 2/20 0.41
GRN P28799 1/20 0.39
SORT1 Q99523 1/20 0.39
LMNA P02545 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
KAT2B Q92831 1/20 0.38
ABCB1 P08183 1/20 0.37
ALDH1A1 P00352 2/20 0.36
GRM5 P41594 1/20 0.35
TSHR P16473 1/20 0.34
LOX P28300 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
SCHEMBL6506947 0.81 NPC1 (0.37) NPC1RAB9AHPGDKDM4EMAPT
SCHEMBL4408852 0.81 ABCG2 (0.46) ABCG2NPC1RAB9AHPGDKDM4E
SCHEMBL4404185 0.81 ABCG2 (0.46) ABCG2NPC1RAB9AHPGDKDM4E
SCHEMBL4406033 0.78 ABCG2 (0.44) ABCG2NPC1RAB9AHPGDKDM4E
SCHEMBL4408406 0.78 ABCG2 (0.44) ABCG2NPC1RAB9AHPGDKDM4E
SCHEMBL54820 0.74 ABCG2 (0.50) ABCG2NPC1RAB9AHPGDKDM4E
SCHEMBL4412042 0.73 HPGD (0.53) ABCG2NPC1RAB9AHPGDKDM4E
SCHEMBL513472 0.72 HPGD (0.42) ABCG2NPC1RAB9AHPGDMAPT
SCHEMBL4410795 0.71 NPC1 (0.55) ABCG2NPC1RAB9AHPGDKDM4E
SCHEMBL4187230 0.69 ABCG2 (0.50) ABCG2NPC1RAB9AHPGDKDM4E

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