SCHEMBL5282954

SCHEMBL5282954

CCCn1nnc(CC(C)(C)C)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.35
CYP1A2 P05177 2/20 0.35
ALDH1A1 P00352 2/20 0.35
GRIA4 P48058 1/20 0.32
MEN1 O00255 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
GRM2 Q14416 1/20 0.32
TOP2A P11388 1/20 0.30

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
SCHEMBL5275521 0.90 SLC9A1 (0.38) SLC9A1GRM2TOP2A
SCHEMBL5286316 0.87 SLC9A1 (0.41) SLC9A1ALDH1A1GRM2
SCHEMBL5283648 0.85 SLC9A1 (0.32) SLC9A1
SCHEMBL5277679 0.81 SLC9A1 (0.39) SLC9A1CYP1A2ALDH1A1GRIA4MEN1
SCHEMBL5279192 0.81
SCHEMBL5276650 0.80 SLC9A1 (0.36) SLC9A1ALDH1A1GRM2TOP2A
SCHEMBL5280400 0.80 SLC9A1 (0.36) SLC9A1CYP1A2ALDH1A1GRM2TOP2A
SCHEMBL5276074 0.80 SLC9A1 (0.36) SLC9A1ALDH1A1GRIA4GRM2TOP2A
SCHEMBL5277736 0.79 SLC9A1 (0.38) SLC9A1CYP1A2ALDH1A1GRIA4MEN1
SCHEMBL5281611 0.79 SLC9A1 (0.33) SLC9A1CYP1A2ALDH1A1GRM2

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