SCHEMBL5283324

SCHEMBL5283324

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.40
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33
HCAR3 P49019 1/20 0.32
SMPD1 P17405 4/20 0.31
MAPT P10636 2/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
LMNA P02545 2/20 0.30
ALDH1A1 P00352 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
GRM2 Q14416 1/20 0.30

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
SCHEMBL5282109 0.94 SLC9A1 (0.37) SLC9A1GABRA2GABRB2HCAR3GRM2
SCHEMBL5274658 0.89 SLC9A1 (0.43) SLC9A1GABRA2GABRB2HCAR3SMPD1
SCHEMBL5280258 0.89 SLC9A1 (0.43) SLC9A1HCAR3SMPD1MAPTCNR1
SCHEMBL5273917 0.88 SLC9A1 (0.38) SLC9A1HCAR3SMPD1MAPT
SCHEMBL5276110 0.88 SLC9A1 (0.38) SLC9A1GABRA2GABRB2HCAR3SMPD1
SCHEMBL5283630 0.87 SLC9A1 (0.34) SLC9A1ALDH1A1GRM2
SCHEMBL5279485 0.86 SLC9A1 (0.41) SLC9A1GABRA2GABRB2HCAR3SMPD1
SCHEMBL5273180 0.86 SLC9A1 (0.41) SLC9A1HCAR3SMPD1MAPTCNR1
SCHEMBL5275517 0.85 SLC9A1 (0.40) SLC9A1HCAR3SMPD1MAPTLMNA
SCHEMBL5280303 0.85 SLC9A1 (0.40) SLC9A1GABRA2GABRB2HCAR3SMPD1

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