SCHEMBL3960109

SCHEMBL3960109

NC(=O)c1cc(C(F)(F)F)ccn1.O=C(O)C1(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR7 P32248 1/20 0.45
CCR6 P51684 1/20 0.45
ALKBH2 Q6NS38 1/20 0.43
ALKBH5 Q6P6C2 1/20 0.43
ALKBH3 Q96Q83 1/20 0.43
FTO Q9C0B1 1/20 0.43
MMP2 P08253 8/20 0.41
MMP13 P45452 8/20 0.41
MMP3 P08254 6/20 0.41
MMP9 P14780 6/20 0.41
MMP8 P22894 6/20 0.41
SLC22A12 Q96S37 2/20 0.40
KMT2A Q03164 1/20 0.39
MMP14 P50281 5/20 0.39
MMP1 P03956 1/20 0.39
MAPT P10636 2/20 0.38
SCN10A Q9Y5Y9 2/20 0.38
SCN9A Q15858 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 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
SCHEMBL3963859 0.93 MAPT (0.42) CCR7CCR6SLC22A12MAPTALDH1A1
SCHEMBL3960112 0.86 NOS3 (0.51) ALKBH2ALKBH5ALKBH3FTOMMP2
SCHEMBL3963997 0.84 KMT2A (0.60) CCR7CCR6MMP2MMP13MMP3
SCHEMBL1464281 0.82 MMP2 (0.51) MMP2MMP13MMP3MMP9MMP8
SCHEMBL3959480 0.81 P2RX7 (0.43) MMP2MMP13MMP3MMP9MMP8
SCHEMBL3962698 0.78 KMT2A (0.55) CCR7CCR6KMT2AMAPTALDH1A1
SCHEMBL2678073 0.78 KMT2A (0.56) CCR7CCR6KMT2ASCN10ASCN9A
SCHEMBL3963998 0.77 GCK (0.45) CCR6MMP2MMP13MMP3MMP9
SCHEMBL1464260 0.76 MMP2 (0.49) MMP2MMP13MMP3MMP9MMP8
Hydrochloric Acid SCHEMBL29537174 0.76 KMT2A (0.54) CCR7CCR6KMT2ASCN10ASCN9A

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