SCHEMBL12843162

SCHEMBL12843162

Nc1ccc(N=C=S)cc1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY6 Q15077 2/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ HTR3E A5X5Y0 1/20 0.37
▸ HTR3B O95264 1/20 0.37
▸ HTR3A P46098 1/20 0.37
▸ HTR3D Q70Z44 1/20 0.37
▸ HTR3C Q8WXA8 1/20 0.37
▸ MIF P14174 2/20 0.36
▸ PNMT P11086 1/20 0.35
▸ FFAR4 Q5NUL3 9/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ USP2 O75604 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ LTA P01374 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ P2RX3 P56373 2/20 0.34
▸ RAD51 Q06609 2/20 0.34

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
SCHEMBL20258489 0.83 HTR3E (0.42) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1435515 0.80 P2RY6 (0.38) P2RY6CA1CA2HTR3EHTR3B
SCHEMBL30673506 0.80 P2RY6 (0.38) P2RY6CA1CA2HTR3EHTR3B
SCHEMBL27973968 0.79 P2RY6 (0.37) P2RY6CA1CA2HTR3EHTR3B
SCHEMBL881834 0.79 HTR3E (0.56) P2RY6HTR3EHTR3BHTR3AHTR3D
SCHEMBL13813270 0.79 P2RY6 (0.37) P2RY6CA1CA2HTR3EHTR3B
SCHEMBL18084255 0.78 FFAR4 (0.40) CA1CA2HTR3EHTR3BHTR3A
SCHEMBL13153135 0.77 P2RY6 (0.45) P2RY6CA1CA2MIFPNMT
SCHEMBL13788639 0.76 KIF11 (0.41) P2RY6CA1CA2HTR3EHTR3B
SCHEMBL16906398 0.76 MAPT (0.52) CA2HTR3EHTR3BHTR3AHTR3D

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-20110077581-A1 TARGETED CELLULAR DELIVERY OF NANOPARTICLES GEORGIA TECH RESEARCH CORPORATION (US) 2011-03-31 — — US disclosed
WO-2010099238-A1 SPECIFIC DIARYLHYDANTOIN AND DIARYLTHIOHYDANTOIN COMPOUNDS MEDIVATION PROSTATE THERAPEUTICS, INC. (US) 2010-09-02 — — WO disclosed
Send feedback