SCHEMBL6697828

SCHEMBL6697828

Cn1nc(-c2ccc(S(=O)(=O)Nc3nc[c]s3)s2)cc1C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 1/20 0.60
GAA P10253 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
RXFP1 Q9HBX9 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SCN9A Q15858 1/20 0.40
MAPT P10636 3/20 0.37
TYMS P04818 1/20 0.35
PFKFB3 Q16875 4/20 0.35
PPARG P37231 1/20 0.35
GABRA1 P14867 1/20 0.33

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
SCHEMBL7097084 0.82 PTGES2 (0.60) PTGES2GAAL3MBTL1ALDH1A1POLB
SCHEMBL3473373 0.80 PTGES2 (0.61) PTGES2GAAL3MBTL1ALDH1A1POLB
SCHEMBL3473539 0.80 PTGES2 (0.65) PTGES2GAAL3MBTL1ALDH1A1POLB
SCHEMBL3472654 0.79 PTGES2 (0.64) PTGES2GAAL3MBTL1ALDH1A1POLB
SCHEMBL16502999 0.79 PTGES2 (0.64) PTGES2GAAL3MBTL1ALDH1A1POLB
SCHEMBL3472410 0.79 PTGES2 (0.64) PTGES2GAAL3MBTL1ALDH1A1POLB
SCHEMBL3473840 0.78 PTGES2 (0.61) PTGES2GAAL3MBTL1ALDH1A1POLB
SCHEMBL15690849 0.78 PTGES2 (0.63) PTGES2GAAL3MBTL1ALDH1A1POLB
SCHEMBL3473873 0.78 PTGES2 (0.63) PTGES2GAAL3MBTL1ALDH1A1POLB
SCHEMBL3475279 0.78 PTGES2 (0.60) PTGES2GAAL3MBTL1ALDH1A1POLB

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-2004112782-A1 NEW USE V BIOVITRUM AB (SE) 2004-12-29 WO claimed