SCHEMBL3960112

SCHEMBL3960112

Nc1cc(C(F)(F)F)ccn1.O=C(O)C1(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.51
NOS2 P35228 1/20 0.51
SLC22A12 Q96S37 2/20 0.41
MMP2 P08253 9/20 0.40
MMP13 P45452 9/20 0.40
MMP3 P08254 7/20 0.40
MMP9 P14780 7/20 0.40
MMP8 P22894 7/20 0.40
MMP14 P50281 6/20 0.40
MMP1 P03956 1/20 0.40
ALKBH2 Q6NS38 1/20 0.40
ALKBH5 Q6P6C2 1/20 0.40
ALKBH3 Q96Q83 1/20 0.40
FTO Q9C0B1 1/20 0.40
MAPT P10636 1/20 0.39
GCK P35557 1/20 0.37
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL3960109 0.86 CCR7 (0.45) SLC22A12MMP2MMP13MMP3MMP9
SCHEMBL1464281 0.83 MMP2 (0.51) MMP2MMP13MMP3MMP9MMP8
SCHEMBL3963998 0.83 GCK (0.45) MMP2MMP13MMP3MMP9MMP8
SCHEMBL3963859 0.79 MAPT (0.42) SLC22A12MAPTGAA
SCHEMBL1464260 0.78 MMP2 (0.49) SLC22A12MMP2MMP13MMP3MMP9
SCHEMBL1464025 0.78 MMP2 (0.48) MMP2MMP13MMP3MMP9MMP8
SCHEMBL3963997 0.77 KMT2A (0.60) MMP2MMP13MMP3MMP9MMP8
SCHEMBL1464356 0.75 MMP2 (0.65) MMP2MMP13MMP3MMP9MMP8
SCHEMBL3959480 0.74 P2RX7 (0.43) MMP2MMP13MMP3MMP9MMP8
SCHEMBL3964990 0.72 MMP2 (0.48) MMP2MMP13MMP3MMP9MMP8

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
EP-2081905-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2009-07-29 EP disclosed
WO-2008014199-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-01-31 WO disclosed