SCHEMBL4411065

SCHEMBL4411065

CCCn1nnc([N+](=O)[O-])n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.42
HTT P42858 6/20 0.42
RECQL P46063 1/20 0.41
ALDH1A1 P00352 6/20 0.41
LMNA P02545 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
GAA P10253 3/20 0.40
MAPT P10636 3/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NOD2 Q9HC29 1/20 0.38
MITF O75030 1/20 0.37
ALPL P05186 1/20 0.37
APEX1 P27695 1/20 0.37
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL4406717 0.91 KMT2A (0.41) RAB9AHTTALDH1A1LMNASMN1; SMN2
SCHEMBL4413426 0.90 KMT2A (0.42) RAB9AHTTALDH1A1LMNASMN1; SMN2
SCHEMBL4407024 0.88 KMT2A (0.41) HTTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL4407855 0.86 HTT (0.43) RAB9AHTTALDH1A1LMNASMN1; SMN2
SCHEMBL4416363 0.78 HTT (0.40) HTTRECQLALDH1A1LMNASMN1; SMN2
SCHEMBL4407337 0.78 HTT (0.40) HTTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL2210336 0.75
SCHEMBL27964410 0.74 CNR2 (0.38) RAB9AHTTALDH1A1LMNASMN1; SMN2
SCHEMBL17834020 0.74 RAB9A (0.46) RAB9AALDH1A1LMNAKMT2AMEN1
SCHEMBL4407260 0.70 RAB9A (0.54) RAB9AHTTALDH1A1LMNASMN1; 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