SCHEMBL5281570

SCHEMBL5281570

CCCCCCn1nnc(F)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.45
HCAR3 P49019 1/20 0.35
TOP2A P11388 1/20 0.35
MAPT P10636 1/20 0.34
GRM2 Q14416 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
SMPD1 P17405 4/20 0.32
MGLL Q99685 2/20 0.32
PTGS1 P23219 2/20 0.32
PTGS2 P35354 2/20 0.32
FAAH O00519 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
SCHEMBL5284094 0.93 SLC9A1 (0.42) SLC9A1HCAR3TOP2AMAPTGRM2
SCHEMBL5277283 0.85 SLC9A1 (0.39) SLC9A1HCAR3TOP2AGRM2ALDH1A1
SCHEMBL5284919 0.81 SLC9A1 (0.47) SLC9A1HCAR3TOP2AMAPTGRM2
SCHEMBL5276925 0.81 SLC9A1 (0.47) SLC9A1HCAR3TOP2AMAPTGRM2
SCHEMBL5278509 0.80 SLC9A1 (0.46) SLC9A1HCAR3TOP2AMAPTGRM2
SCHEMBL5278936 0.80 SLC9A1 (0.46) SLC9A1HCAR3TOP2AMAPTGRM2
SCHEMBL5278987 0.79 SLC9A1 (0.45) SLC9A1HCAR3TOP2AMAPTGRM2
SCHEMBL5281120 0.79 SLC9A1 (0.45) SLC9A1HCAR3TOP2AMAPTGRM2
SCHEMBL5284570 0.79 SLC9A1 (0.45) SLC9A1HCAR3TOP2AMAPTGRM2
SCHEMBL5278202 0.79 SLC9A1 (0.45) SLC9A1HCAR3TOP2AMAPTGRM2

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