SCHEMBL5280127

SCHEMBL5280127

CCCCn1nnc(C(Cl)(Cl)Cl)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.41
GRM2 Q14416 1/20 0.37
TOP2A P11388 1/20 0.36
HCAR3 P49019 2/20 0.34
NR1H3 Q13133 1/20 0.32
ESR1 P03372 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
HTT P42858 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
SCHEMBL5278300 0.93 SLC9A1 (0.44) SLC9A1GRM2TOP2AHCAR3
SCHEMBL5273410 0.89 SLC9A1 (0.38) SLC9A1GRM2TOP2AHCAR3MEN1
SCHEMBL5278355 0.88 SLC9A1 (0.38) SLC9A1GRM2TOP2AHCAR3
SCHEMBL5286143 0.87 SLC9A1 (0.40) SLC9A1GRM2TOP2AHCAR3NR1H3
SCHEMBL5280894 0.84 SLC9A1 (0.38) SLC9A1GRM2TOP2AHCAR3MEN1
SCHEMBL5279834 0.84 SLC9A1 (0.40) SLC9A1GRM2TOP2AHCAR3NR1H3
SCHEMBL5279740 0.84 SLC9A1 (0.40) SLC9A1GRM2TOP2AHCAR3NR1H3
SCHEMBL5282497 0.84 GRM2 (0.43) SLC9A1GRM2TOP2AHCAR3NR1H3
SCHEMBL5277317 0.82 SLC9A1 (0.39) SLC9A1GRM2TOP2AHCAR3NR1H3
SCHEMBL5282856 0.82 SLC9A1 (0.39) SLC9A1GRM2TOP2AHCAR3NR1H3

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