SCHEMBL1768351

SCHEMBL1768351

CC(C)(C)N(Cc1noc(-c2c3ccccc3nn2CCn2ccnc2)n1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 3/20 0.55
SCN1A P35498 2/20 0.55
SCN4A P35499 2/20 0.55
SCN5A Q14524 2/20 0.55
SCN9A Q15858 2/20 0.55
SCN2A Q99250 2/20 0.55
SCN3A Q9NY46 2/20 0.55
SCN10A Q9Y5Y9 2/20 0.55
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 2/20 0.38
GAA P10253 3/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 3/20 0.35
GLA P06280 2/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL1768241 0.89 SCN8A (0.48) SCN8ASCN1ASCN4ASCN5ASCN9A
SCHEMBL1768437 0.86 SCN8A (0.66) SCN8ASCN1ASCN4ASCN5ASCN9A
SCHEMBL1768416 0.82 CYP1A2 (0.51) SCN8ASCN1ASCN4ASCN5ASCN9A
SCHEMBL11896995 0.81 SCN8A (0.51) SCN8ASCN1ASCN4ASCN5ASCN9A
SCHEMBL11896994 0.81 SCN8A (0.67) SCN8ASCN1ASCN4ASCN5ASCN9A
SCHEMBL1768502 0.81 CYP1A2 (0.48) SCN8ASCN1ASCN4ASCN5ASCN9A
SCHEMBL11896968 0.80 CYP1A2 (0.65) SCN8ASCN1ASCN4ASCN5ASCN9A
SCHEMBL12649131 0.80 SCN8A (0.65) SCN8ASCN1ASCN4ASCN5ASCN9A
Ammonia Solution, Strong SCHEMBL1768336 0.79 CYP1A2 (0.64) SCN8ASCN1ASCN4ASCN5ASCN9A
SCHEMBL12648966 0.79 SCN8A (0.76) SCN8ASCN1ASCN4ASCN5ASCN9A

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