SCHEMBL20123327

SCHEMBL20123327

CNc1ccc(Nc2ccc(OC)cc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.81
RAB9A P51151 7/20 0.81
GAA P10253 5/20 0.81
NPC1 O15118 4/20 0.81
MAPK1 P28482 3/20 0.81
L3MBTL1 Q9Y468 2/20 0.81
KDM4E B2RXH2 2/20 0.81
THRB P10828 2/20 0.81
RECQL P46063 2/20 0.81
TDP1 Q9NUW8 2/20 0.81
NPSR1 Q6W5P4 1/20 0.81
NR4A1 P22736 1/20 0.65
ALDH1A1 P00352 4/20 0.57
HTT P42858 2/20 0.57
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 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
SCHEMBL161436 0.93 RAB9A (0.67) MAPTRAB9AGAANPC1MAPK1
SCHEMBL23456042 0.92 RAB9A (0.68) MAPTRAB9AGAANPC1MAPK1
Hydrochloric Acid SCHEMBL163829 0.90 GAA (0.64) MAPTRAB9AGAANPC1MAPK1
SCHEMBL39057 0.90 MAPT (1.00) MAPTRAB9AGAANPC1MAPK1
SCHEMBL1459772 0.90 MAPT (1.00) MAPTRAB9AGAANPC1MAPK1
SCHEMBL13107871 0.86 MAPT (0.58) MAPTRAB9AGAANPC1MAPK1
SCHEMBL13127250 0.86 MAPT (0.58) MAPTRAB9AGAANPC1MAPK1
SCHEMBL7758813 0.83 RAB9A (0.85) MAPTRAB9AGAANPC1MAPK1
SCHEMBL12648780 0.83 MAPT (0.85) MAPTRAB9AGAANPC1MAPK1
SCHEMBL1921511 0.83 MAPT (0.85) MAPTRAB9AGAANPC1MAPK1

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
EP-2588144-B1 DETECTING TARGETS USING MASS TAGS AND MASS SPECTROMETRY VENTANA MED SYST INC (US) 2018-05-09 EP disclosed