SCHEMBL9608949

SCHEMBL9608949

Cc1nn(-c2cccc(NS(=O)(=O)Cc3ccccc3)c2)c(C)c1CC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 11/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.45
TSHR P16473 1/20 0.43
F2 P00734 1/20 0.41
HPGD P15428 1/20 0.40
KLK6 Q92876 1/20 0.39

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
SCHEMBL8511902 0.88 PTGDR2 (0.57) P2RX7PTGDR2TSHR
SCHEMBL9609041 0.83 F2 (0.47) P2RX7PTGDR2F2
SCHEMBL8516281 0.78 L3MBTL1 (0.53) P2RX7PTGDR2TSHR
SCHEMBL9609107 0.77 P2RX7 (0.47) P2RX7PTGDR2TSHR
SCHEMBL9609110 0.76 PTGDR2 (0.79) P2RX7PTGDR2TSHR
SCHEMBL9882891 0.76 AR (0.48) P2RX7PTGDR2TSHR
SCHEMBL9609102 0.73 PDE4B (0.59) P2RX7TSHR
SCHEMBL8513084 0.71 PTGDR2 (0.55) P2RX7PTGDR2
SCHEMBL11255334 0.70 TSHR (0.76) P2RX7TSHR
SCHEMBL23013058 0.69 SLC34A1 (0.55) P2RX7TSHR

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
WO-2012069175-A1 NEW PYRAZOLE DERIVATIVES HAVING CRTH2 ANTAGONISTIC BEHAVIOUR ALMIRALL, S.A. (ES) 2012-05-31 WO disclosed
EP-2457900-A1 New pyrazole derivatives having CRTh2 antagonistic behaviour Almirall, S.A. (ES) 2012-05-30 EP disclosed