SCHEMBL5281258

SCHEMBL5281258

CCCCCCn1nnc(C#N)c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.38
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 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 2/20 0.32
LMNA P02545 1/20 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
SCHEMBL5282262 0.94 SLC9A1 (0.35) SLC9A1MAPTMEN1KMT2ACNR1
SCHEMBL5278205 0.88 LMNA (0.33) SLC9A1MAPTMEN1KMT2AALDH1A1
SCHEMBL5279050 0.82 MAPT (0.33) MAPT
SCHEMBL5273507 0.80 SLC9A1 (0.41) SLC9A1MAPTCNR1CNR2ACHE
SCHEMBL5281852 0.80 SLC9A1 (0.41) SLC9A1MAPTCNR1CNR2ACHE
SCHEMBL5288803 0.80 SLC9A1 (0.41) SLC9A1MAPTMEN1KMT2ACNR1
SCHEMBL5277272 0.78 SLC9A1 (0.40) SLC9A1MAPTCNR1CNR2ACHE
SCHEMBL5274445 0.78 SLC9A1 (0.40) SLC9A1MAPTCNR1CNR2ACHE
SCHEMBL5279908 0.78 SLC9A1 (0.40) SLC9A1MAPTCNR1CNR2ACHE
SCHEMBL5277153 0.78 SLC9A1 (0.38) SLC9A1MAPTMEN1KMT2ACNR1

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