SCHEMBL5282497

SCHEMBL5282497

CCCCn1nnc(C(Cl)(Cl)Cl)c1Br

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.43
SLC9A1 P19634 4/20 0.40
TOP2A P11388 1/20 0.38
CSNK2A2 P19784 2/20 0.33
CSNK2B P67870 2/20 0.33
CSNK2A1 P68400 2/20 0.33
CSNK2A3 Q8NEV1 2/20 0.33
HCAR3 P49019 2/20 0.33
NR1H3 Q13133 1/20 0.31
HTT P42858 2/20 0.31
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL5283149 0.93 SLC9A1 (0.43) GRM2SLC9A1TOP2ACSNK2A2CSNK2B
SCHEMBL5274680 0.89 GRM2 (0.40) GRM2SLC9A1TOP2AHCAR3MEN1
SCHEMBL5281379 0.88 GRM2 (0.40) GRM2SLC9A1TOP2ACSNK2A2CSNK2B
SCHEMBL5272953 0.86 GRM2 (0.43) GRM2SLC9A1TOP2ACSNK2A2CSNK2B
SCHEMBL5276023 0.84 GRM2 (0.42) GRM2SLC9A1TOP2AHCAR3NR1H3
SCHEMBL5280127 0.84 SLC9A1 (0.41) GRM2SLC9A1TOP2AHCAR3NR1H3
SCHEMBL5280852 0.82 SLC9A1 (0.40) GRM2SLC9A1TOP2AHCAR3LMNA
SCHEMBL5279834 0.82 SLC9A1 (0.40) GRM2SLC9A1TOP2AHCAR3NR1H3
SCHEMBL5279740 0.82 SLC9A1 (0.40) GRM2SLC9A1TOP2AHCAR3NR1H3
SCHEMBL5279952 0.81 GRM2 (0.40) GRM2SLC9A1TOP2AHCAR3MEN1

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