SCHEMBL16637889

SCHEMBL16637889

CCc1cnc(-n2cc(-c3ccc(NC(=O)c4c(F)cccc4F)nc3)c(C)n2)s1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IL2 P60568 11/20 0.45
SCN9A Q15858 3/20 0.40
SCN5A Q14524 1/20 0.40
GAA P10253 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
STIM1 Q13586 2/20 0.36
ORAI1 Q96D31 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
GLA P06280 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TNF P01375 1/20 0.36
ORAI2 Q96SN7 1/20 0.36

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
SCHEMBL16636525 0.89 IL2 (0.46) IL2SCN9ASCN5AGAAMEN1
SCHEMBL16636428 0.83 IL2 (0.45) IL2SCN9AGAAMEN1KMT2A
SCHEMBL16636903 0.81 SCN9A (0.50) IL2SCN9ASCN5AGAAMEN1
SCHEMBL16636881 0.81 IL2 (0.38) IL2SCN9AGAAKDM4ENPC1
SCHEMBL16636531 0.81 IL2 (0.40) IL2SCN9AKDM4ENPC1RAB9A
SCHEMBL16636674 0.79 IL2 (0.49) IL2SCN9AGAAMEN1KMT2A
SCHEMBL16637371 0.79 IL2 (0.43) IL2SCN9ASCN5AGAAMEN1
SCHEMBL16636701 0.77 IL2 (0.42) IL2SCN9ASCN5AGAAMEN1
SCHEMBL16636495 0.77 SCN9A (0.48) IL2SCN9ASCN5AGAAMEN1
SCHEMBL16636863 0.75 IL2 (0.39) IL2SCN9AKDM4ENPC1RAB9A

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-2015054283-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2015-04-16 WO disclosed