SCHEMBL8134473

SCHEMBL8134473

N#Cc1cc(/N=N/c2cccc(C(F)(F)F)c2)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
HTR3A P46098 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
THRB P10828 1/20 0.46
HPGD P15428 1/20 0.46
XBP1 P17861 1/20 0.46
ESR1 P03372 2/20 0.44
ESR2 Q92731 2/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
AR P10275 1/20 0.40
GAA P10253 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
SCHEMBL8134475 1.00 HTR3E (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8134493 0.83 HTR3E (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8134495 0.83 HTR3E (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11148018 0.79 MAOA (0.62) MAOAMAOBALDH1A1MAPTSMN1; SMN2
SCHEMBL11148021 0.79 MAOA (0.62) MAOAMAOBALDH1A1MAPTSMN1; SMN2
SCHEMBL8141880 0.79 ESR1 (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8141877 0.79 ESR1 (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL4594768 0.79 AR (0.47) MEN1KMT2AAR
SCHEMBL2926796 0.79 HTR3E (0.62) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2926794 0.79 HTR3E (0.62) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6165998-A Antifungal agents SCRIPTGEN PHARMACEUTICALS, INC. (US) 2000-12-26 US claimed
US-6165998-A Antifungal agents SCRIPTGEN PHARMACEUTICALS, INC. (US) 2000-12-26 US disclosed