SCHEMBL5282168

SCHEMBL5282168

CCCCCCn1nnc(Br)c1C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.46
GRM2 Q14416 2/20 0.41
HCAR3 P49019 1/20 0.36
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
SMPD1 P17405 4/20 0.33
TOP2A P11388 1/20 0.33
MGLL Q99685 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32

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
SCHEMBL5276384 0.92 GRM2 (0.46) SLC9A1GRM2HCAR3ALDH1A1TOP2A
SCHEMBL5280505 0.84 GRM2 (0.43) SLC9A1GRM2HCAR3ALDH1A1TOP2A
SCHEMBL5280496 0.83 SLC9A1 (0.47) SLC9A1GRM2HCAR3MAPTALDH1A1
SCHEMBL5282831 0.81 SLC9A1 (0.49) SLC9A1GRM2HCAR3MAPTALDH1A1
SCHEMBL5276697 0.80 SLC9A1 (0.45) SLC9A1GRM2HCAR3MAPTALDH1A1
SCHEMBL5281120 0.80 SLC9A1 (0.45) SLC9A1GRM2HCAR3MAPTALDH1A1
SCHEMBL5283124 0.80 SLC9A1 (0.45) SLC9A1GRM2HCAR3MAPTALDH1A1
SCHEMBL5282518 0.79 SLC9A1 (0.44) SLC9A1GRM2HCAR3MAPTALDH1A1
SCHEMBL5287644 0.79 SLC9A1 (0.44) SLC9A1GRM2HCAR3MAPTALDH1A1
SCHEMBL5279549 0.78 SLC9A1 (0.46) SLC9A1GRM2HCAR3MAPTALDH1A1

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