SCHEMBL5284094

SCHEMBL5284094

CCCCn1nnc(F)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 5/20 0.42
TOP2A P11388 1/20 0.40
GRM2 Q14416 1/20 0.38
HCAR3 P49019 2/20 0.35
KMT2A Q03164 5/20 0.32
MEN1 O00255 4/20 0.32
ALDH1A1 P00352 3/20 0.32
GAA P10253 1/20 0.32
HTT P42858 2/20 0.31
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
PKM P14618 1/20 0.31
CYP2C19 P33261 1/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 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
SCHEMBL5281570 0.93 SLC9A1 (0.45) SLC9A1TOP2AGRM2HCAR3ALDH1A1
SCHEMBL5277283 0.88 SLC9A1 (0.39) SLC9A1TOP2AGRM2HCAR3KMT2A
SCHEMBL5276335 0.80 SLC9A1 (0.44) SLC9A1TOP2AGRM2HCAR3KMT2A
SCHEMBL5276096 0.80 SLC9A1 (0.44) SLC9A1TOP2AGRM2HCAR3KMT2A
SCHEMBL5276441 0.79
SCHEMBL5284734 0.78 SLC9A1 (0.43) SLC9A1TOP2AGRM2HCAR3KMT2A
SCHEMBL5282440 0.78 SLC9A1 (0.43) SLC9A1TOP2AGRM2HCAR3KMT2A
SCHEMBL5278235 0.77 SLC9A1 (0.42) SLC9A1TOP2AGRM2HCAR3KMT2A
SCHEMBL5276666 0.77 SLC9A1 (0.42) SLC9A1TOP2AGRM2HCAR3KMT2A
SCHEMBL5277681 0.77 GRM2 (0.45) SLC9A1TOP2AGRM2HCAR3KMT2A

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