SCHEMBL16094113

SCHEMBL16094113

Clc1nccc(OCc2ccccc2)c1Br

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.49
LTA4H P09960 1/20 0.46
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.43
ABCB1 P08183 1/20 0.42
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
MAOB P27338 1/20 0.40
LIPE Q05469 1/20 0.40
PLAU P00749 1/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CCR5 P51681 2/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL30013758 0.83 MAPK14 (0.49) MAPK14LTA4HMAPTMAPK1TDP1
SCHEMBL23723738 0.83 MAPK14 (0.49) MAPK14LTA4HMAPTMAPK1TDP1
SCHEMBL29013146 0.81 SMN1; SMN2 (0.54) MAPK14LTA4HMAPTMAPK1TDP1
SCHEMBL10819320 0.80 L3MBTL1 (0.61) MAPK14LTA4HMAPTMAPK1TDP1
SCHEMBL16011825 0.80 MAPK14 (0.46) MAPK14LTA4HMAPTMAPK1TDP1
SCHEMBL8320729 0.80 MAPK14 (0.46) MAPK14LTA4HMAPTMAPK1TDP1
SCHEMBL16012000 0.80 MAPK14 (0.46) MAPK14LTA4HMAPTMAPK1TDP1
SCHEMBL1007717 0.80 MAOB (0.45) MAPK14LTA4HMAPTMAPK1TDP1
SCHEMBL17224562 0.78 MAPT (0.56) MAPK14LTA4HMAPTMAPK1TDP1
SCHEMBL30666961 0.78 MAPT (0.56) MAPK14LTA4HMAPTMAPK1TDP1

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
EP-2968280-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF Genentech, Inc. (US) 2016-01-20 EP disclosed
WO-2014153037-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2014-09-25 WO disclosed