SCHEMBL20258497

SCHEMBL20258497

Nc1ccc(N=Nc2ccc(N)cc2C(F)(F)F)c(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.59
▸ GAA P10253 2/20 0.59
▸ POLB P06746 2/20 0.59
▸ GLA P06280 1/20 0.59
▸ KIF11 P52732 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ TDP1 Q9NUW8 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ MEN1 O00255 6/20 0.40
▸ KMT2A Q03164 6/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ AR P10275 2/20 0.40
▸ ATM Q13315 2/20 0.40
▸ SRC P12931 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ CASP7 P55210 1/20 0.40

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
SCHEMBL10035793 1.00 TSHR (0.59) TSHRGAAPOLBGLAKIF11
SCHEMBL11651847 0.91 MEN1 (0.50) TSHRGAAPOLBGLAKIF11
SCHEMBL9657630 0.91 TSHR (0.50) TSHRGAAPOLBGLAKIF11
SCHEMBL11651842 0.91 MEN1 (0.50) TSHRGAAPOLBGLAKIF11
SCHEMBL9657634 0.91 TSHR (0.50) TSHRGAAPOLBGLAKIF11
SCHEMBL9611207 0.89 POLB (0.48) TSHRGAAPOLBGLAKIF11
SCHEMBL11648036 0.89 POLB (0.48) TSHRGAAPOLBGLAKIF11
SCHEMBL7567112 0.85 TSHR (0.44) TSHRGAAPOLBGLAKIF11
SCHEMBL11647491 0.83 TSHR (0.43) TSHRGAAPOLBGLAKIF11
SCHEMBL8521396 0.83 TSHR (0.43) TSHRGAAPOLBGLAKIF11

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
US-20180163135-A1 LIQUID CRYSTAL POLYMERIZED FILMS USING ALIGNMENT FILM AND POLYMERIZABLE LIQUID CRYSTAL COMPOSTION JNC CORPORATION (JP) 2018-06-14 — — US disclosed
Send feedback