SCHEMBL6749573

SCHEMBL6749573

O=S(=O)(Nc1nccnc1-c1ccc(CO)cc1)c1ccc(Cl)cc1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 13/20 0.65
TSHR P16473 1/20 0.52
EDNRB P24530 1/20 0.49
EDNRA P25101 1/20 0.49
MALT1 Q9UDY8 2/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL2450795 0.89 PTGDR2 (0.66) PTGDR2TSHREDNRBEDNRAHTT
SCHEMBL6751910 0.81 PTGDR2 (0.57) PTGDR2TSHREDNRBEDNRAHTT
SCHEMBL2449199 0.81 PTGDR2 (0.69) PTGDR2
SCHEMBL2444500 0.79 PTGDR2 (1.00) PTGDR2
SCHEMBL2449413 0.78 PTGDR2 (0.57) PTGDR2
SCHEMBL2449138 0.75 PTGDR2 (0.58) PTGDR2
SCHEMBL2446963 0.75 PTGDR2 (0.60) PTGDR2
SCHEMBL6749580 0.75 PTGDR2 (0.55) PTGDR2
SCHEMBL6751658 0.74 PTGDR2 (0.53) PTGDR2TSHRHTT
SCHEMBL6747752 0.73 TSHR (0.63) PTGDR2TSHRHTT

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
WO-2004058265-A1 COMPOUND LIBRARIES OF 2,3-SUBSTITUTED PYRAZINE DERIVATIVES CAPABLE OF BINDING TO G-PROTEIN COUPLED RECEPTORS BIOFOCUS PLC (GB) 2004-07-15 WO disclosed