SCHEMBL5286792

SCHEMBL5286792

CCCCCCn1nnc(F)c1C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.43
CNR1 P21554 7/20 0.36
CNR2 P34972 7/20 0.36
HCAR3 P49019 1/20 0.34
SMPD1 P17405 4/20 0.33
TOP2A P11388 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL5278276 0.93 SLC9A1 (0.40) SLC9A1CNR1CNR2HCAR3TOP2A
SCHEMBL5274274 0.87 SLC9A1 (0.43) SLC9A1CNR1CNR2HCAR3SMPD1
SCHEMBL5279857 0.86 SLC9A1 (0.37) SLC9A1HCAR3TOP2AALDH1A1
SCHEMBL5276257 0.85 SLC9A1 (0.42) SLC9A1CNR1CNR2HCAR3SMPD1
SCHEMBL5284034 0.84 SLC9A1 (0.41) SLC9A1HCAR3SMPD1TOP2AMAPT
SCHEMBL5290014 0.83 SLC9A1 (0.40) SLC9A1HCAR3SMPD1TOP2AMAPT
SCHEMBL5286214 0.81 SLC9A1 (0.44) SLC9A1CNR1CNR2HCAR3SMPD1
SCHEMBL5283641 0.81 SLC9A1 (0.44) SLC9A1CNR1CNR2HCAR3SMPD1
SCHEMBL5277091 0.81 SLC9A1 (0.41) SLC9A1CNR1CNR2HCAR3SMPD1
SCHEMBL5280427 0.80 SLC9A1 (0.43) SLC9A1CNR1CNR2HCAR3SMPD1

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