SCHEMBL20258489

SCHEMBL20258489

Nc1ccc(N=Nc2ccc(N)c(C(F)(F)F)c2)cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR3E A5X5Y0 1/20 0.42
▸ HTR3B O95264 1/20 0.42
▸ HTR3A P46098 1/20 0.42
▸ HTR3D Q70Z44 1/20 0.42
▸ HTR3C Q8WXA8 1/20 0.42
▸ FFAR4 Q5NUL3 11/20 0.39
▸ TSHR P16473 2/20 0.39
▸ GLA P06280 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ FFAR1 O14842 3/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37

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
SCHEMBL16906398 0.92 MAPT (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL16906397 0.92 MAPT (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL18084255 0.90 FFAR4 (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL20251153 0.89 CYP3A4 (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9657595 0.86 MEN1 (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8521664 0.86 MAPK1 (0.47) FFAR4TSHRGAASMN1; SMN2MAPK1
SCHEMBL9657592 0.86 MEN1 (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7567112 0.85 TSHR (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL12843162 0.83 P2RY6 (0.37) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8521666 0.80 AR (0.40) FFAR4TSHRGLAPOLBGAA

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
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