SCHEMBL5277153

SCHEMBL5277153

CCCCCCn1nnc([N+](=O)[O-])c1C#N

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 2/20 0.36
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
ACHE P22303 1/20 0.34
HCAR3 P49019 1/20 0.33
ALDH1A1 P00352 3/20 0.32
ATM Q13315 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 2/20 0.31
TP53 P04637 1/20 0.30
HSP90AA1 P07900 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL5274847 0.94 SLC9A1 (0.35) SLC9A1MEN1KMT2AMAPTCNR1
SCHEMBL5277622 0.88 LMNA (0.35) SLC9A1MEN1KMT2AMAPTALDH1A1
SCHEMBL5276241 0.82 LMNA (0.33) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL5274630 0.80 SLC9A1 (0.41) SLC9A1MEN1KMT2AMAPTCNR1
SCHEMBL5288803 0.80 SLC9A1 (0.41) SLC9A1MEN1KMT2AMAPTCNR1
SCHEMBL5281712 0.78 SLC9A1 (0.40) SLC9A1MEN1KMT2AMAPTCNR1
SCHEMBL5279019 0.78 SLC9A1 (0.40) SLC9A1MEN1KMT2AMAPTCNR1
SCHEMBL5274060 0.78 SLC9A1 (0.40) SLC9A1MEN1KMT2AMAPTCNR1
SCHEMBL5284437 0.78 SLC9A1 (0.43) SLC9A1MEN1KMT2AMAPTCNR1
SCHEMBL5281258 0.78 SLC9A1 (0.38) SLC9A1MEN1KMT2AMAPTCNR1

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
EP-1859781-A2 Brightening and/or colouring agent with triazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed