SCHEMBL6447368

SCHEMBL6447368

Nc1ccc(C(F)(F)CF)c(N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
GAA P10253 3/20 0.42
POLB P06746 2/20 0.42
GLA P06280 1/20 0.42
CASP1 P29466 4/20 0.37
KIF11 P52732 3/20 0.36
MAPK1 P28482 1/20 0.33
NR1H2 P55055 1/20 0.32
ALDH1A1 P00352 5/20 0.32
KDM4E B2RXH2 4/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
AR P10275 2/20 0.32
CASP7 P55210 2/20 0.32
ATM Q13315 2/20 0.32
HSD17B10 Q99714 2/20 0.32
SRC P12931 1/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TLR9 Q9NR96 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
SCHEMBL15547708 0.82 KIF11 (0.47) TSHRGAAPOLBGLACASP1
SCHEMBL798773 0.82 ALDH1A1 (0.34) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL9904797 0.80 TSHR (0.41) TSHRGAAPOLBGLACASP1
SCHEMBL7544397 0.79 TSHR (0.63) TSHRGAAPOLBGLACASP1
SCHEMBL29460325 0.78 TSHR (0.60) TSHRGAAPOLBGLACASP1
SCHEMBL711538 0.78 TSHR (0.60) TSHRGAAPOLBGLACASP1
SCHEMBL6740132 0.74 SMN1; SMN2 (0.39) TSHRGAAPOLBCASP1MAPK1
SCHEMBL29140652 0.74 TSHR (0.45) TSHRGAAPOLBGLACASP1
SCHEMBL12724450 0.71 SMN1; SMN2 (0.52) TSHRGAAPOLBGLACASP1
SCHEMBL27984678 0.69 CASP1 (0.42) TSHRGAAPOLBGLACASP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6927012-B2 Polyamic acid resin composition NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-09 US claimed
EP-1411088-B1 POLYAMIC ACID RESIN COMPOSITION NISSAN CHEMICAL IND LTD (JP) 2013-08-21 EP disclosed
US-6927012-B2 Polyamic acid resin composition NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-09 US disclosed
US-20040175646-A1 Polyamic acid resin composition NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2004-09-09 US disclosed
EP-1411088-A1 POLYAMIC ACID RESIN COMPOSITION Nissan Chemical Industries, Ltd. (JP) 2004-04-21 EP disclosed