SCHEMBL7184462

SCHEMBL7184462

Nc1cc(Sc2ccc(N)cc2C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.48
TSHR P16473 2/20 0.44
GAA P10253 2/20 0.44
GLA P06280 1/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KIF11 P52732 4/20 0.37
AR P10275 2/20 0.35
MAPT P10636 3/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NR2E1 Q9Y466 1/20 0.33
KDM4E B2RXH2 4/20 0.33
HPGD P15428 3/20 0.33
NR1H2 P55055 1/20 0.32
SRC P12931 1/20 0.32
CASP1 P29466 1/20 0.32

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
SCHEMBL30761014 0.83 PDE7A (0.63) PDE7ATSHRGAAGLAPOLB
SCHEMBL7183456 0.82 PDE7A (0.66) PDE7ATSHRGAAGLAPOLB
SCHEMBL31457325 0.82 PDE7A (0.66) PDE7ATSHRGAAGLAPOLB
SCHEMBL709679 0.81 GAA (0.59) PDE7ATSHRGAAGLAPOLB
SCHEMBL7188810 0.81 PDE7A (0.50) PDE7ATSHRGAAGLAPOLB
SCHEMBL7185488 0.79 TSHR (0.45) TSHRGAAGLAPOLBMAPK1
SCHEMBL7189756 0.78 TSHR (0.52) PDE7ATSHRGAAGLAPOLB
SCHEMBL7193536 0.76 PDE7A (0.56) PDE7ATSHRGAAGLAPOLB
SCHEMBL177741 0.76 PDE7A (0.52) PDE7ATSHRGAAGLAPOLB
SCHEMBL7189659 0.76 TSHR (0.58) PDE7ATSHRGAAMAPK1ALDH1A1

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
US-20030064235-A1 Optical members made of polymide resins MITSUI CHEMICALS, INC. (JP) 2003-04-03 US disclosed
EP-1237015-A1 OPTICAL MEMBERS MADE OF POLYIMIDE RESINS Mitsui Chemicals, Inc. (JP) 2002-09-04 EP disclosed