SCHEMBL3963997

SCHEMBL3963997

NC(=O)c1ccc(C(F)(F)F)cn1.O=C(O)C1(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.60
CCR6 P51684 6/20 0.50
CCR7 P32248 2/20 0.50
MAPK1 P28482 1/20 0.43
MMP2 P08253 7/20 0.40
MMP13 P45452 7/20 0.40
MMP3 P08254 6/20 0.40
MMP9 P14780 6/20 0.40
MMP8 P22894 6/20 0.40
MMP14 P50281 5/20 0.40
MMP1 P03956 1/20 0.40
MAPT P10636 1/20 0.37
HSD11B1 P28845 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
SCHEMBL3962698 0.93 KMT2A (0.55) KMT2ACCR6CCR7MAPK1MAPT
SCHEMBL3963998 0.86 GCK (0.45) KMT2ACCR6MMP2MMP13MMP3
SCHEMBL3960109 0.84 CCR7 (0.45) KMT2ACCR6CCR7MMP2MMP13
SCHEMBL1464281 0.83 MMP2 (0.51) MMP2MMP13MMP3MMP9MMP8
SCHEMBL3959480 0.83 P2RX7 (0.43) KMT2AMMP2MMP13MMP3MMP9
SCHEMBL1464260 0.78 MMP2 (0.49) MMP2MMP13MMP3MMP9MMP8
SCHEMBL1996711 0.78 KMT2A (1.00) KMT2ACCR6CCR7MAPK1HSD11B1
SCHEMBL3963859 0.77 MAPT (0.42) CCR6CCR7MAPT
SCHEMBL3960112 0.77 NOS3 (0.51) MMP2MMP13MMP3MMP9MMP8
SCHEMBL1463903 0.76 MMP2 (0.51) CCR6MMP2MMP13MMP3MMP9

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 claimed
WO-2008014199-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-01-31 WO claimed