SCHEMBL5280030

SCHEMBL5280030

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.43
HCAR3 P49019 1/20 0.34
SMPD1 P17405 4/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
MAPT P10636 1/20 0.33
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GRM2 Q14416 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
SCHEMBL5277804 0.93 SLC9A1 (0.40) SLC9A1HCAR3ALDH1A1GRM2
SCHEMBL5278264 0.87 SLC9A1 (0.41) SLC9A1HCAR3SMPD1MAPTALDH1A1
SCHEMBL5276767 0.86 SLC9A1 (0.37) SLC9A1HCAR3ALDH1A1GRM2
SCHEMBL5286214 0.85 SLC9A1 (0.44) SLC9A1HCAR3SMPD1CNR1CNR2
SCHEMBL5274658 0.83 SLC9A1 (0.43) SLC9A1HCAR3SMPD1CNR1CNR2
SCHEMBL5279214 0.83 SLC9A1 (0.43) SLC9A1HCAR3SMPD1CNR1CNR2
SCHEMBL5274274 0.83 SLC9A1 (0.43) SLC9A1HCAR3SMPD1CNR1CNR2
SCHEMBL5283121 0.82 SLC9A1 (0.42) SLC9A1HCAR3SMPD1CNR1CNR2
SCHEMBL5286619 0.82 SLC9A1 (0.42) SLC9A1HCAR3SMPD1CNR1CNR2
SCHEMBL5279831 0.82 SLC9A1 (0.42) SLC9A1HCAR3SMPD1CNR1CNR2

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