SCHEMBL3716596

SCHEMBL3716596

COC(=O)Cn1c(C)c(Cc2scc(C)c2S(=O)(=O)c2ccccn2)c2cc(F)ccc21

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 19/20 0.49
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HK1 P19367 1/20 0.43
HKDC1 Q2TB90 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PTGIR P43119 1/20 0.42
PTGDR Q13258 1/20 0.42

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
SCHEMBL3714386 0.92 PTGDR2 (0.59) PTGDR2PTGIRPTGDR
SCHEMBL1466489 0.89 PTGDR2 (0.53) PTGDR2ALDH1A1LMNAMAPTHK1
SCHEMBL3721645 0.88 PTGDR2 (0.56) PTGDR2ALDH1A1LMNAMAPTHK1
SCHEMBL1421903 0.87 PTGDR2 (0.51) PTGDR2ALDH1A1LMNAMAPTHK1
SCHEMBL3718517 0.87 PTGDR2 (0.48) PTGDR2ALDH1A1LMNAMAPTHK1
SCHEMBL1921378 0.86 PTGDR2 (0.51) PTGDR2ALDH1A1LMNAMAPTHK1
SCHEMBL1467495 0.84 PTGDR2 (0.50) PTGDR2ALDH1A1LMNAMAPTHK1
SCHEMBL1466355 0.84 PTGDR2 (0.53) PTGDR2ALDH1A1LMNAMAPTHK1
SCHEMBL3714601 0.82 PTGDR2 (0.52) PTGDR2ALDH1A1LMNAMAPTHK1
SCHEMBL3719021 0.80 PTGDR2 (0.67) PTGDR2PTGIRPTGDR

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-2010142934-A1 INDOLE DERIVATIVES AS LIGANDS OF CRTH2 RECEPTORS PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2010-12-16 WO disclosed