SCHEMBL17722784

SCHEMBL17722784

BC1CCC(C2CCC(c3ccc(Oc4cc(N)cc(N)c4)cc3)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 2/20 0.39
SCN9A Q15858 2/20 0.39
KCNH2 Q12809 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NLRP3 Q96P20 1/20 0.38
F2 P00734 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
ST14 Q9Y5Y6 1/20 0.36
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 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
SCHEMBL17722782 0.91 SCN5A (0.39) SCN5ASCN9AKCNH2MEN1KMT2A
SCHEMBL12220494 0.85 ESR2 (0.44) SCN5ASCN9AKCNH2MEN1KMT2A
SCHEMBL12241902 0.82 SLC6A2 (0.36) SCN5ASCN9AKCNH2MEN1KMT2A
SCHEMBL17722779 0.81 MAPT (0.37) SCN5ASCN9AKCNH2MEN1KMT2A
SCHEMBL16265121 0.80 SCN5A (0.34) SCN5ASCN9AKCNH2MEN1KMT2A
SCHEMBL15395981 0.80 ESR2 (0.47) SCN5ASCN9AKCNH2MEN1KMT2A
SCHEMBL17722777 0.79 MRGPRX4 (0.35) MEN1KMT2AF2PRSS1PRSS2
SCHEMBL15427141 0.78 SCN5A (0.39) SCN5ASCN9AKCNH2MEN1KMT2A
SCHEMBL10054732 0.77 CYP2C9 (0.40) SCN5ASCN9AKCNH2MEN1KMT2A
SCHEMBL12062096 0.77 SLC6A2 (0.39) SCN5ASCN9AKCNH2MEN1KMT2A

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
US-20160122651-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHI MEI CORPORATION (TW) 2016-05-05 US disclosed