SCHEMBL4414694

SCHEMBL4414694

O=[N+]([O-])c1nnn(-c2ccccc2)n1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 6/20 0.45
HPGD P15428 2/20 0.43
ABCB1 P08183 2/20 0.43
NPC1 O15118 4/20 0.41
RAB9A P51151 3/20 0.41
HTT P42858 1/20 0.40
MAPT P10636 2/20 0.40
PKM P14618 2/20 0.40
KDM4E B2RXH2 1/20 0.39
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 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
SCHEMBL31051680 0.74 ABCG2 (0.60) ABCG2ABCB1NPC1RAB9APKM
SCHEMBL12497464 0.73 MAPT (0.43) NPC1RAB9AHTTMAPTKDM4E
SCHEMBL31051672 0.71 ABCG2 (0.59) ABCG2ABCB1NPC1RAB9AMAPT
SCHEMBL6751826 0.71 NPC1 (0.61) ABCG2ABCB1NPC1RAB9AMAPT
SCHEMBL4407260 0.71 RAB9A (0.54) NPC1RAB9AHTTMAPTSMN1; SMN2
SCHEMBL6269910 0.71 ABCG2 (0.50) ABCG2HPGDABCB1NPC1RAB9A
Hydrochloric Acid SCHEMBL3318213 0.70 NPC1 (0.60) ABCG2ABCB1NPC1RAB9AMAPT
SCHEMBL28232274 0.69 TSHR (0.37) NPC1RAB9AHTTMAPTKDM4E
SCHEMBL4410795 0.69 NPC1 (0.55) ABCG2HPGDABCB1NPC1RAB9A
SCHEMBL28231253 0.68 SMN1; SMN2 (0.49) HPGDNPC1HTTMAPTSMN1; SMN2

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