SCHEMBL3395952

SCHEMBL3395952

Cc1cc(C#N)ccc1-c1ccnc(NCc2cc(-c3ccccc3[N+](=O)[O-])[nH]n2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.56
KMT2A Q03164 6/20 0.41
MAPT P10636 5/20 0.41
MEN1 O00255 4/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 3/20 0.41
ALPL P05186 1/20 0.41
LMNA P02545 2/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 4/20 0.38
ALDH1A1 P00352 3/20 0.38
EIF4E P06730 2/20 0.35
GAA P10253 1/20 0.35
GFER P55789 1/20 0.35
MAPK1 P28482 2/20 0.35
LRRK2 Q5S007 1/20 0.35
CHEK1 O14757 1/20 0.34
CLK4 Q9HAZ1 2/20 0.34
CYP1A2 P05177 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
SCHEMBL3393631 0.86 KCNH2 (0.54) KCNH2KMT2AMAPTMEN1RAB9A
SCHEMBL13425748 0.86 KCNH2 (0.53) KCNH2MAPTLMNAPKMLRRK2
SCHEMBL3392938 0.86 KCNH2 (0.54) KCNH2MAPTLMNAHPGDALDH1A1
SCHEMBL13425826 0.85 KCNH2 (0.64) KCNH2KMT2AMAPTMEN1RAB9A
SCHEMBL13426245 0.85 KCNH2 (0.60) KCNH2MAPTLMNAHPGDALDH1A1
SCHEMBL13426224 0.85 KCNH2 (0.60) KCNH2MAPTLMNAHPGDALDH1A1
SCHEMBL3394278 0.85 KCNH2 (0.60) KCNH2KMT2AMAPTMEN1RAB9A
SCHEMBL13426154 0.85 KCNH2 (0.68) KCNH2MAPTLMNAHPGDALDH1A1
SCHEMBL13426280 0.83 KCNH2 (0.58) KCNH2KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL13425792 0.83 KCNH2 (0.61) KCNH2LMNAHPGDALDH1A1MAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed