SCHEMBL5285302

SCHEMBL5285302

CCCn1nnc(F)c1C(Cl)(Cl)C(Cl)(Cl)Cl

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.34
TOP2A P11388 1/20 0.33
ALDH1A1 P00352 2/20 0.31
GRM2 Q14416 1/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 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
SCHEMBL5275761 0.90 SLC9A1 (0.37) SLC9A1TOP2AGRM2
SCHEMBL5290014 0.87 SLC9A1 (0.40) SLC9A1TOP2AALDH1A1GRM2
SCHEMBL5278418 0.86 SLC9A1 (0.31) SLC9A1
SCHEMBL5277410 0.86 SLC9A1 (0.36) SLC9A1TOP2AALDH1A1GRM2CYP1A2
SCHEMBL5283830 0.81 SLC9A1 (0.35) SLC9A1TOP2AALDH1A1GRM2CYP1A2
SCHEMBL5281000 0.81 SLC9A1 (0.35) SLC9A1TOP2AALDH1A1GRM2CYP1A2
SCHEMBL5273607 0.81 SLC9A1 (0.35) SLC9A1TOP2AALDH1A1GRM2CYP1A2
SCHEMBL5279857 0.80 SLC9A1 (0.37) SLC9A1TOP2AALDH1A1GRM2CYP1A2
SCHEMBL5275902 0.80 SLC9A1 (0.37) SLC9A1TOP2AALDH1A1GRM2CYP1A2
SCHEMBL5284435 0.80 SLC9A1 (0.33) SLC9A1

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