SCHEMBL1768241

SCHEMBL1768241

CC(C)(C)N(Cc1noc(-c2c3cc(F)ccc3nn2CCn2ccnc2)n1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 3/20 0.48
SCN9A Q15858 3/20 0.48
SCN1A P35498 2/20 0.48
SCN4A P35499 2/20 0.48
SCN5A Q14524 2/20 0.48
SCN2A Q99250 2/20 0.48
SCN3A Q9NY46 2/20 0.48
SCN10A Q9Y5Y9 2/20 0.48
NAMPT P43490 4/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP19A1 P11511 2/20 0.33
KDM4C Q9H3R0 3/20 0.31
POLB P06746 1/20 0.31
QPCT Q16769 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HCRTR1 O43613 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
SCHEMBL1768351 0.89 SCN8A (0.55) SCN8ASCN9ASCN1ASCN4ASCN5A
SCHEMBL11896967 0.83 SCN5A (0.44) SCN8ASCN9ASCN1ASCN4ASCN5A
SCHEMBL11896966 0.83 SCN8A (0.59) SCN8ASCN9ASCN1ASCN4ASCN5A
SCHEMBL1768557 0.82 CYP1A2 (0.49) SCN8ASCN9ASCN1ASCN4ASCN5A
SCHEMBL12649180 0.81 SCN1A (0.58) SCN8ASCN9ASCN1ASCN4ASCN5A
SCHEMBL1768240 0.79 SCN1A (0.45) SCN8ASCN9ASCN1ASCN4ASCN5A
SCHEMBL1768437 0.78 SCN8A (0.66) SCN8ASCN9ASCN1ASCN4ASCN5A
SCHEMBL1768419 0.74 SCN1A (0.58) SCN8ASCN9ASCN1ASCN4ASCN5A
SCHEMBL13640223 0.74 SCN1A (0.58) SCN8ASCN9ASCN1ASCN4ASCN5A
SCHEMBL1768416 0.72 CYP1A2 (0.51) SCN8ASCN9ASCN1ASCN4ASCN5A

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