SCHEMBL5284569

SCHEMBL5284569

CCCn1cnnc1C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL5283796 0.89 ALDH1A1 (0.38) ADORA2AMEN1KMT2A
SCHEMBL5284510 0.83 LRRK2 (0.34) MEN1KMT2A
SCHEMBL22792081 0.79 MEN1 (0.38) ADORA2AADORA2BMEN1KMT2A
SCHEMBL5273283 0.73 ADORA2A (0.30) ADORA2AADORA2BADORA1
SCHEMBL5276026 0.72
SCHEMBL2882020 0.71
SCHEMBL19288770 0.71
SCHEMBL22951354 0.70 GRIN2B (0.37) MEN1KMT2A
SCHEMBL5279872 0.69 ADORA2A (0.33) ADORA2AADORA2BADORA1
SCHEMBL5655699 0.68 ALDH1A1 (0.34) ADORA2AADORA2BADORA1

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