SCHEMBL5284570

SCHEMBL5284570

CCCCCCn1nnc(F)c1Br

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.45
GRM2 Q14416 2/20 0.40
TOP2A P11388 1/20 0.38
HCAR3 P49019 1/20 0.35
SMPD1 P17405 5/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 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
SCHEMBL5277681 0.93 GRM2 (0.45) SLC9A1GRM2TOP2AHCAR3MAPT
SCHEMBL5275485 0.85 GRM2 (0.42) SLC9A1GRM2TOP2AHCAR3ALDH1A1
SCHEMBL5276925 0.81 SLC9A1 (0.47) SLC9A1GRM2TOP2AHCAR3SMPD1
SCHEMBL5280496 0.81 SLC9A1 (0.47) SLC9A1GRM2TOP2AHCAR3SMPD1
SCHEMBL5276080 0.80 SLC9A1 (0.46) SLC9A1GRM2TOP2AHCAR3SMPD1
SCHEMBL5278936 0.80 SLC9A1 (0.46) SLC9A1GRM2TOP2AHCAR3SMPD1
SCHEMBL5278987 0.79 SLC9A1 (0.45) SLC9A1GRM2TOP2AHCAR3SMPD1
SCHEMBL5281570 0.79 SLC9A1 (0.45) SLC9A1GRM2TOP2AHCAR3SMPD1
SCHEMBL5275921 0.79 SLC9A1 (0.45) SLC9A1GRM2TOP2AHCAR3SMPD1
SCHEMBL5276697 0.79 SLC9A1 (0.45) SLC9A1GRM2TOP2AHCAR3SMPD1

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