SCHEMBL28039284

SCHEMBL28039284

O=C(CCc1ccc(O)c(Cl)c1)OCc1ccccc1.O=C(CCc1ccc(O)cc1)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.59
TDP1 Q9NUW8 1/20 0.51
CA2 P00918 3/20 0.50
CA1 P00915 2/20 0.50
HSD17B2 P37059 2/20 0.50
HCAR2 Q8TDS4 1/20 0.46
LMNA P02545 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ALOX5 P09917 2/20 0.43
PLAAT3 P53816 1/20 0.43
PLAAT5 Q96KN8 1/20 0.43
PLAAT2 Q9NWW9 1/20 0.43
PLAAT4 Q9UL19 1/20 0.43
F2 P00734 1/20 0.43

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
SCHEMBL781984 0.96 APP (0.59) APPTDP1CA2CA1HSD17B2
SCHEMBL305392 0.86 TDP1 (0.68) APPTDP1LMNAMAPK1L3MBTL1
SCHEMBL197805 0.84 APP (0.76) APPTDP1MAPTMAPK1L3MBTL1
SCHEMBL14793687 0.82 ALDH1A1 (0.63) TDP1CA2CA1HSD17B2MAPK1
SCHEMBL28450115 0.81 TDP1 (0.64) APPTDP1MEN1KMT2AMAPT
SCHEMBL304176 0.80 TDP1 (0.78) APPTDP1LMNAKMT2AMAPT
SCHEMBL23086060 0.79 APP (0.58) APPTDP1MAPK1L3MBTL1POLB
Ammonia Solution, Strong SCHEMBL28588274 0.79 TDP1 (0.75) APPTDP1LMNAKMT2AMAPT
Bicarbonate SCHEMBL7699565 0.79 TDP1 (0.75) APPTDP1LMNAKMT2AMAPT
SCHEMBL28207503 0.79 TDP1 (0.75) APPTDP1LMNAKMT2AMAPT

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
CN-105440032-A PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG 2016-03-30 CN disclosed
CN-103249723-B Pyrazine derivatives as ENAC blockers NOVARTIS AG (CH) 2015-11-25 CN disclosed