SCHEMBL5287585

SCHEMBL5287585

CCCCCCn1nnc([N+](=O)[O-])c1C(Cl)(Cl)C(Cl)(Cl)Cl

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 3/20 0.36
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
ACHE P22303 1/20 0.33
ALDH1A1 P00352 3/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HCAR3 P49019 1/20 0.32
GSR P00390 1/20 0.31
TXNRD1 Q16881 1/20 0.31
MAPT P10636 1/20 0.31
LMNA P02545 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL5282833 0.95 ALDH1A1 (0.34) SLC9A1CNR1CNR2ALDH1A1ATM
SCHEMBL5276001 0.89 SLC9A1 (0.38) SLC9A1CNR1CNR2ACHEALDH1A1
SCHEMBL5279984 0.89 ALDH1A1 (0.32) SLC9A1ALDH1A1ATML3MBTL1MAPT
SCHEMBL5280908 0.85 CNR1 (0.45) SLC9A1CNR1CNR2ACHEALDH1A1
SCHEMBL5280072 0.84 SLC9A1 (0.38) SLC9A1CNR1CNR2ACHEALDH1A1
SCHEMBL5282105 0.83 ALDH1A1 (0.35) SLC9A1CNR1CNR2ACHEALDH1A1
SCHEMBL5282480 0.83
SCHEMBL5272830 0.82 SLC9A1 (0.36) SLC9A1CNR1CNR2ACHEALDH1A1
SCHEMBL5279016 0.79 CNR1 (0.41) SLC9A1CNR1CNR2ACHEALDH1A1
SCHEMBL5284437 0.79 SLC9A1 (0.43) SLC9A1CNR1CNR2ACHEALDH1A1

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