SCHEMBL5282960

SCHEMBL5282960

CCCn1nnc(C(C)(C)C)c1C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.38
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 2/20 0.34
GRM2 Q14416 1/20 0.34
TOP2A P11388 1/20 0.33
GRIA4 P48058 1/20 0.31
HCAR3 P49019 1/20 0.31
MEN1 O00255 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 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
SCHEMBL5278016 0.89 SLC9A1 (0.41) SLC9A1ALDH1A1GRM2TOP2AHCAR3
SCHEMBL5281094 0.85 SLC9A1 (0.44) SLC9A1ALDH1A1GRM2HCAR3
SCHEMBL5275775 0.83 MAOA (0.36) SLC9A1ADORA2AADORA2BALDH1A1GRM2
SCHEMBL5281881 0.82 SLC9A1 (0.37) SLC9A1ADORA2AADORA2BALDH1A1CYP1A2
SCHEMBL5284513 0.82 SLC9A1 (0.37) SLC9A1ADORA2AADORA2BALDH1A1CYP1A2
SCHEMBL5274886 0.80 SLC9A1 (0.38) SLC9A1ADORA2AADORA2BALDH1A1CYP1A2
SCHEMBL5278674 0.79 SLC9A1 (0.35) SLC9A1ADORA2AADORA2BALDH1A1CYP1A2
SCHEMBL5273671 0.79 SLC9A1 (0.35) SLC9A1ADORA2AADORA2BALDH1A1CYP1A2
SCHEMBL18812069 0.78 SLC9A1 (0.37) SLC9A1ADORA2AADORA2BALDH1A1CYP1A2
SCHEMBL5276736 0.78 SLC9A1 (0.37) SLC9A1ADORA2AADORA2BALDH1A1CYP1A2

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