SCHEMBL2416612

SCHEMBL2416612

COc1cc(Cl)cc(-c2ncc(NC(=O)c3cnoc3)nc2N)c1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 7/20 0.55
RAB9A P51151 4/20 0.37
NPC1 O15118 2/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
ALOX15 P16050 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SCN2A Q99250 3/20 0.36
F10 P00742 5/20 0.36
FGFR3 P22607 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
RXFP1 Q9HBX9 1/20 0.34
SCN9A Q15858 2/20 0.34
SCN3A Q9NY46 2/20 0.34
CHRNA7 P36544 1/20 0.33
FGFR1 P11362 1/20 0.33

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
SCHEMBL2413029 0.83 SCN10A (0.80) SCN10ARAB9ANPC1SCN2AF10
SCHEMBL2416074 0.82 SCN10A (0.57) SCN10ARAB9ANPC1TP53CYP1A2
SCHEMBL2416391 0.81 SCN10A (0.52) SCN10ARAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL2410050 0.81 SCN10A (0.52) SCN10ARAB9ANPC1TP53SMN1; SMN2
SCHEMBL2413894 0.80 SCN10A (0.57) SCN10ARAB9ANPC1TP53CYP1A2
SCHEMBL2415984 0.80 SCN10A (0.63) SCN10ARAB9ANPC1CYP1A2CYP2D6
SCHEMBL21198355 0.79 SCN10A (0.48) SCN10ARAB9ANPC1SMN1; SMN2SCN2A
SCHEMBL2414494 0.77 SCN10A (0.50) SCN10ACYP2D6SCN2ASCN9ASCN3A
SCHEMBL2419401 0.77 SCN10A (0.47) SCN10ACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL2416618 0.72 SCN2A (0.67) SCN10ASCN2A

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-1945630-B1 PYRAZINE DERIVATIVES AS SODIUM CHANNEL MODULATORS FOR THE TREATMENT OF PAIN PFIZER LTD (GB) 2011-09-21 EP disclosed