SCHEMBL5284663

SCHEMBL5284663

CCCn1nnc([N+](=O)[O-])c1C(Cl)(Cl)Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.33
MAPT P10636 5/20 0.33
LMNA P02545 4/20 0.33
HTT P42858 4/20 0.33
KMT2A Q03164 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
NPSR1 Q6W5P4 3/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
MEN1 O00255 2/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 1/20 0.33
BLM P54132 1/20 0.32
SLC9A1 P19634 1/20 0.32
ATM Q13315 1/20 0.31
THRB P10828 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TOP2A P11388 1/20 0.31
JAK2 O60674 1/20 0.30
CYP1A2 P05177 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
SCHEMBL5282105 0.91 ALDH1A1 (0.35) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL5276001 0.88 SLC9A1 (0.38) ALDH1A1MAPTLMNAKMT2AL3MBTL1
SCHEMBL5279984 0.88 ALDH1A1 (0.32) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL5278562 0.87 ALDH1A1 (0.31) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL5278248 0.86 CNR1 (0.35) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL5284361 0.84 ALDH1A1 (0.33) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL5277452 0.82 ALDH1A1 (0.31) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL5274570 0.80 KDM4E (0.38) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL5282833 0.80 ALDH1A1 (0.34) ALDH1A1MAPTLMNAKMT2AL3MBTL1
SCHEMBL5279213 0.79 KDM4E (0.42) ALDH1A1MAPTLMNAHTTKMT2A

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