SCHEMBL3826993

SCHEMBL3826993

NC(S)=Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 3/20 0.74
HTR3B O95264 3/20 0.74
HTR3A P46098 3/20 0.74
HTR3D Q70Z44 3/20 0.74
HTR3C Q8WXA8 3/20 0.74
NOS1 P29475 3/20 0.59
NOS3 P29474 2/20 0.59
NOS2 P35228 2/20 0.59
ESR1 P03372 2/20 0.55
ESR2 Q92731 2/20 0.55
MGLL Q99685 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PLAU P00749 1/20 0.43

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
Iodide SCHEMBL3535857 0.98 HTR3E (0.72) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2464879 0.85 HTR3E (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL14938205 0.78 NOS1 (0.71) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL15503829 0.78 HTR3E (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9812140 0.78 HTR3E (0.68) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6720756 0.76 HTR3E (0.64) HTR3EHTR3BHTR3AHTR3DHTR3C
Nitric Acid SCHEMBL5733225 0.76 HTR3E (0.79) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11373214 0.75 HTR3E (0.69) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11373780 0.75 HTR3E (0.64) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11373784 0.75 HTR3E (0.64) HTR3EHTR3BHTR3AHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799656-A4 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN INC (US) 2009-09-02 EP disclosed
EP-1799656-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE Targegen, Inc. (US) 2007-06-27 EP disclosed
WO-2006024034-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2006-03-02 WO disclosed