SCHEMBL5282833

SCHEMBL5282833

CCCCn1nnc([N+](=O)[O-])c1C(Cl)(Cl)C(Cl)(Cl)Cl

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SLC9A1 P19634 2/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
TOP2A P11388 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HCAR3 P49019 1/20 0.31
GRM2 Q14416 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 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
SCHEMBL5287585 0.95 SLC9A1 (0.36) ALDH1A1ATML3MBTL1SLC9A1CNR1
SCHEMBL5279984 0.92 ALDH1A1 (0.32) ALDH1A1ATML3MBTL1SLC9A1MEN1
SCHEMBL5282105 0.89 ALDH1A1 (0.35) ALDH1A1ATML3MBTL1SLC9A1CNR1
SCHEMBL5282480 0.85
SCHEMBL5279016 0.84 CNR1 (0.41) ALDH1A1ATML3MBTL1SLC9A1CNR1
SCHEMBL5276001 0.83 SLC9A1 (0.38) ALDH1A1ATML3MBTL1SLC9A1CNR1
SCHEMBL5274455 0.83 SLC9A1 (0.35) ALDH1A1ATML3MBTL1SLC9A1CNR1
SCHEMBL5278467 0.81 SLC9A1 (0.33) ALDH1A1ATML3MBTL1SLC9A1CNR1
SCHEMBL5284663 0.80 ALDH1A1 (0.33) ALDH1A1ATML3MBTL1SLC9A1TOP2A
SCHEMBL5280908 0.79 CNR1 (0.45) ALDH1A1ATML3MBTL1SLC9A1CNR1

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