SCHEMBL5281115

SCHEMBL5281115

CCCCCCn1nnc(Cl)c1C

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.46
HCAR3 P49019 1/20 0.36
MAPT P10636 1/20 0.35
GRM2 Q14416 1/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
SMPD1 P17405 4/20 0.33
TOP2A P11388 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL5276483 0.92 SLC9A1 (0.43) SLC9A1HCAR3GRM2ALDH1A1TOP2A
SCHEMBL5274642 0.84 CYP1A2 (0.43) SLC9A1HCAR3GRM2ALDH1A1TOP2A
SCHEMBL5284919 0.83 SLC9A1 (0.47) SLC9A1HCAR3MAPTGRM2ALDH1A1
SCHEMBL5282831 0.81 SLC9A1 (0.49) SLC9A1HCAR3MAPTGRM2ALDH1A1
SCHEMBL5281159 0.80 SLC9A1 (0.45) SLC9A1HCAR3MAPTGRM2ALDH1A1
SCHEMBL5277631 0.80 SLC9A1 (0.45) SLC9A1HCAR3MAPTGRM2ALDH1A1
SCHEMBL5275921 0.80 SLC9A1 (0.45) SLC9A1HCAR3MAPTGRM2ALDH1A1
SCHEMBL5273367 0.79 SLC9A1 (0.44) SLC9A1HCAR3MAPTGRM2ALDH1A1
SCHEMBL5275662 0.79 SLC9A1 (0.44) SLC9A1HCAR3MAPTGRM2ALDH1A1
SCHEMBL5279549 0.78 SLC9A1 (0.46) SLC9A1HCAR3MAPTGRM2ALDH1A1

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