SCHEMBL3962698

SCHEMBL3962698

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

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.55
CCR6 P51684 4/20 0.47
CCR7 P32248 2/20 0.47
MAPT P10636 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
MAPK1 P28482 1/20 0.40
PPARD Q03181 1/20 0.39
DAGLA Q9Y4D2 1/20 0.38
RORC P51449 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
SCHEMBL3963997 0.93 KMT2A (0.60) KMT2ACCR6CCR7MAPTMAPK1
SCHEMBL3963859 0.84 MAPT (0.42) CCR6CCR7MAPTALDH1A1HTT
SCHEMBL3963998 0.80 GCK (0.45) KMT2ACCR6
SCHEMBL3960109 0.78 CCR7 (0.45) KMT2ACCR6CCR7MAPTALDH1A1
SCHEMBL1464996 0.78 MAPT (0.54) MAPTALDH1A1HTT
SCHEMBL1464281 0.77 MMP2 (0.51) MAPT
SCHEMBL3959480 0.77 P2RX7 (0.43) KMT2AMAPT
SCHEMBL351726 0.76 EEF2K (0.58) MAPTALDH1A1HTT
SCHEMBL1996711 0.74 KMT2A (1.00) KMT2ACCR6CCR7HTTMAPK1
SCHEMBL3959595 0.72 CNR1 (0.47) MAPTALDH1A1HTTMAPK1

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 4 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
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