SCHEMBL13627068

SCHEMBL13627068

Bc1nn(CCO)c(B)c1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
ALDH1A1 P00352 3/20 0.37
THRB P10828 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP2C19 P33261 1/20 0.32
ATM Q13315 2/20 0.32
PKM P14618 1/20 0.32
HTT P42858 3/20 0.32
CYP3A4 P08684 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 1/20 0.31
POLB P06746 3/20 0.31

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
SCHEMBL13356526 0.90 HTT (0.35) LMNAALDH1A1THRBTSHRMAPK1
SCHEMBL13306214 0.74 HTT (0.46) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL13356459 0.74 CNR1 (0.34) LMNAALDH1A1THRBTSHRMAPK1
SCHEMBL13515698 0.74 ALDH1A1 (0.34) LMNAALDH1A1THRBTSHRMAPK1
SCHEMBL13306213 0.71 HTT (0.34) LMNAALDH1A1THRBTSHRMAPK1
SCHEMBL13356460 0.69 MEN1 (0.39) LMNAALDH1A1MAPK1MAPTMEN1
SCHEMBL13515633 0.69 SMN1; SMN2 (0.42) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL1076637 0.69 ALDH1A1 (0.37) LMNAALDH1A1THRBTSHRMAPK1
SCHEMBL12479809 0.69 HTT (0.55) LMNAALDH1A1MEN1KMT2AHTT
SCHEMBL13356658 0.68 HTT (0.36) ALDH1A1MEN1KMT2AHTTNPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009140451-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING SAID COMPOUNDS, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2009-11-19 WO disclosed