SCHEMBL8521396

SCHEMBL8521396

N=Nc1ccc(N=Nc2ccc(N)cc2C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ GLA P06280 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ TDP1 Q9NUW8 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ KIF11 P52732 1/20 0.35
▸ MEN1 O00255 5/20 0.35
▸ KMT2A Q03164 5/20 0.35
▸ RAB9A P51151 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ HTR3E A5X5Y0 1/20 0.33

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
SCHEMBL7567112 0.86 TSHR (0.44) TSHRGAAGLAPOLBTDP1
SCHEMBL11651842 0.85 MEN1 (0.50) TSHRGAAGLAPOLBTDP1
SCHEMBL11651847 0.85 MEN1 (0.50) TSHRGAAGLAPOLBTDP1
SCHEMBL20258497 0.83 TSHR (0.59) TSHRGAAGLAPOLBTDP1
SCHEMBL10035793 0.83 TSHR (0.59) TSHRGAAGLAPOLBTDP1
SCHEMBL9657630 0.76 TSHR (0.50) TSHRGAAGLAPOLBTDP1
SCHEMBL9657634 0.76 TSHR (0.50) TSHRGAAGLAPOLBTDP1
SCHEMBL12990290 0.75 MAPT (0.45) TSHRGAAGLAPOLBTDP1
SCHEMBL9611207 0.74 POLB (0.48) TSHRGAAGLAPOLBTDP1
SCHEMBL11648036 0.74 POLB (0.48) TSHRGAAGLAPOLBTDP1

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-5856431-A POLYIMIDE ALLIANT TECHSYSTEMS INC. (US) 1999-01-05 — — US disclosed
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