SCHEMBL14880488

SCHEMBL14880488

COc1ccc(Cc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 1/20 0.63
KCNH2 Q12809 1/20 0.63
APP P05067 1/20 0.58
ALDH1A1 P00352 4/20 0.58
LMNA P02545 2/20 0.58
HTT P42858 1/20 0.58
NCOA1 Q15788 1/20 0.58
NCOA3 Q9Y6Q9 1/20 0.58
POLB P06746 3/20 0.58
MAPT P10636 3/20 0.57
RAB9A P51151 2/20 0.57
KMT2A Q03164 3/20 0.55
LTA4H P09960 1/20 0.55
MEN1 O00255 1/20 0.55
CRHBP P24387 1/20 0.55
CRHR2 Q13324 1/20 0.55
NPC1 O15118 1/20 0.55
GAA P10253 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL20328415 0.88 APP (0.70) KCNJ1KCNH2APPALDH1A1LMNA
SCHEMBL20328414 0.88 APP (0.70) KCNJ1KCNH2APPALDH1A1LMNA
SCHEMBL492221 0.88 APP (0.70) KCNJ1KCNH2APPALDH1A1LMNA
SCHEMBL28853641 0.86 APP (0.68) KCNJ1KCNH2APPALDH1A1LMNA
Ethane SCHEMBL10589507 0.86 APP (0.68) KCNJ1KCNH2APPALDH1A1LMNA
SCHEMBL31096483 0.86 APP (0.68) KCNJ1KCNH2APPALDH1A1LMNA
Hydrochloric Acid SCHEMBL15269629 0.86 APP (0.68) KCNJ1KCNH2APPALDH1A1LMNA
SCHEMBL27548370 0.86 APP (0.68) KCNJ1KCNH2APPALDH1A1LMNA
SCHEMBL21753948 0.86 KCNJ1 (0.60) KCNJ1KCNH2APPALDH1A1LMNA
SCHEMBL28131042 0.85 NFE2L2 (0.58) ALDH1A1LMNAMAPTRAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105949178-A Benzimidazole compound, and preparation method, intermediate and application thereof 张锐豪 2016-09-21 CN disclosed
EP-2780326-A1 METHOD FOR INHIBITION OF DEUBIQUITINATING ACTIVITY Vivolux Ab (SE) 2014-09-24 EP disclosed
WO-2013058691-A1 METHOD FOR INHIBITION OF DEUBIQUITINATING ACTIVITY VIVOLUX AB (SE) 2013-04-25 WO disclosed