SCHEMBL16200053

SCHEMBL16200053

Cn1nc(-c2ccc(F)cc2)c(Cl)c1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC34A1 Q06495 7/20 0.44
MAPK14 Q16539 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
P2RX7 Q99572 1/20 0.41
MAPK13 O15264 1/20 0.41
CSNK1D P48730 1/20 0.41
CSNK1E P49674 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
PTGS2 P35354 3/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
PTGS1 P23219 1/20 0.40
RAB9A P51151 1/20 0.39
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39
PDE7A Q13946 1/20 0.39
PDE1C Q14123 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
SCHEMBL14039900 0.85 ALDH1A1 (0.50) SLC34A1SMN1; SMN2MAPTPOLB
SCHEMBL16200057 0.84 MAPK14 (0.42) MAPK14MAPK13CSNK1DCSNK1EMAPK12
SCHEMBL16200062 0.83 PTGS2 (0.46) SMN1; SMN2PTGS2MAPTPOLBPTGS1
SCHEMBL14039556 0.83 NT5E (0.41) PTGS2MAPTPDE7A
SCHEMBL8108697 0.80 SLC34A1 (0.38) SLC34A1SMN1; SMN2MAPT
SCHEMBL20074876 0.77 MAPK14 (0.59) SLC34A1MAPK14SMN1; SMN2P2RX7MAPK13
SCHEMBL16200054 0.76 P2RX7 (0.45) SMN1; SMN2P2RX7PTGS2PTGS1RAB9A
SCHEMBL14039836 0.75 MAPK14 (0.43) SLC34A1MAPK14P2RX7MAPK13CSNK1D
SCHEMBL16200058 0.75 HSD11B1 (0.40) MAPTPOLB
SCHEMBL8168903 0.74 PTGS1 (0.38) SMN1; SMN2PTGS2MAPTPOLBPTGS1

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-1720545-B1 BICYCLIC AND BRIDGED NITROGEN HETEROCYCLES CHEMOCENTRYX INC (US) 2014-10-29 EP disclosed