SCHEMBL5283665

SCHEMBL5283665

CCCCCCn1nnc(C(C)C)c1Br

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.43
GRM2 Q14416 1/20 0.38
HCAR3 P49019 1/20 0.34
TOP2A P11388 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
SMPD1 P17405 4/20 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
SCHEMBL5276036 0.93 GRM2 (0.43) SLC9A1GRM2HCAR3TOP2ALMNA
SCHEMBL5275897 0.86 GRM2 (0.40) SLC9A1GRM2HCAR3TOP2AALDH1A1
SCHEMBL5276153 0.81 SLC9A1 (0.44) SLC9A1GRM2HCAR3MAPTALDH1A1
SCHEMBL5275491 0.81 SLC9A1 (0.44) SLC9A1GRM2HCAR3TOP2AMAPT
SCHEMBL5274377 0.80 SLC9A1 (0.43) SLC9A1HCAR3MAPTALDH1A1LMNA
SCHEMBL5275477 0.80 SLC9A1 (0.43) SLC9A1GRM2HCAR3MAPTALDH1A1
SCHEMBL5275072 0.80 SLC9A1 (0.43) SLC9A1GRM2HCAR3MAPTALDH1A1
SCHEMBL5280496 0.79 SLC9A1 (0.47) SLC9A1GRM2HCAR3TOP2AMAPT
SCHEMBL5279224 0.79 SLC9A1 (0.42) SLC9A1GRM2HCAR3MAPTALDH1A1
SCHEMBL5274246 0.79 SLC9A1 (0.42) SLC9A1GRM2HCAR3MAPTALDH1A1

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