SCHEMBL1768240

SCHEMBL1768240

CC(C)(C)C(NC(=O)O)c1noc(-c2c3cc(F)ccc3nn2CCn2ccnc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 2/20 0.45
SCN4A P35499 2/20 0.45
SCN5A Q14524 2/20 0.45
SCN9A Q15858 2/20 0.45
SCN2A Q99250 2/20 0.45
SCN3A Q9NY46 2/20 0.45
SCN8A Q9UQD0 2/20 0.45
SCN10A Q9Y5Y9 2/20 0.45
CYP19A1 P11511 2/20 0.35
NAMPT P43490 4/20 0.34
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
GLA P06280 2/20 0.32
HPGD P15428 2/20 0.32
USP2 O75604 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
SCHEMBL1768349 0.90 SCN8A (0.51) SCN1ASCN4ASCN5ASCN9ASCN2A
SCHEMBL11896966 0.80 SCN8A (0.59) SCN1ASCN4ASCN5ASCN9ASCN2A
SCHEMBL11896967 0.79 SCN5A (0.44) SCN1ASCN4ASCN5ASCN9ASCN2A
SCHEMBL1768241 0.79 SCN8A (0.48) SCN1ASCN4ASCN5ASCN9ASCN2A
SCHEMBL1768434 0.78 SCN8A (0.61) SCN1ASCN4ASCN5ASCN9ASCN2A
SCHEMBL12649180 0.78 SCN1A (0.58) SCN1ASCN4ASCN5ASCN9ASCN2A
SCHEMBL1768557 0.76 CYP1A2 (0.49) SCN1ASCN4ASCN5ASCN9ASCN2A
SCHEMBL13640223 0.72 SCN1A (0.58) SCN1ASCN4ASCN5ASCN9ASCN2A
SCHEMBL1768415 0.72 CYP1A2 (0.43) SCN1ASCN4ASCN5ASCN9ASCN2A
SCHEMBL1768500 0.71 CYP1A2 (0.41) SCN1ASCN4ASCN5ASCN9ASCN2A

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
WO-2011061469-A1 INDAZOLE DERIVATIVES AND THEIR USE FOR BLOCKADING VOLTAGE DEPENDENT SODIUM CHANNELS UNIVERSITY COLLEGE LONDON (GB) 2011-05-26 WO disclosed