SCHEMBL2854565

SCHEMBL2854565

O=C(NCc1ccc(Cl)cc1)c1cnn(Cc2ccccc2)c1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 19/20 0.75
KLK1 P06870 4/20 0.58
SCN2A Q99250 1/20 0.58
SCN10A Q9Y5Y9 1/20 0.58

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
SCHEMBL2854366 0.94 KLKB1 (0.80) KLKB1KLK1
SCHEMBL2850615 0.89 KLKB1 (0.73) KLKB1KLK1
SCHEMBL15145224 0.86 KLKB1 (0.63) KLKB1KLK1
SCHEMBL1981938 0.86 KLKB1 (1.00) KLKB1KLK1
SCHEMBL25910310 0.86 KLKB1 (0.80) KLKB1KLK1
SCHEMBL22878729 0.86 KLKB1 (0.69) KLKB1KLK1
SCHEMBL15145189 0.85 KLKB1 (0.71) KLKB1KLK1
SCHEMBL22878728 0.85 KLKB1 (0.78) KLKB1KLK1
Hydrochloric Acid SCHEMBL1985633 0.85 KLKB1 (0.98) KLKB1KLK1
SCHEMBL2858761 0.84 LMNA (0.76) KLKB1SCN2ASCN10A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed