SCHEMBL3961312

SCHEMBL3961312

Cc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2cc(-c3ccccc3)nn2C)cc1.Cc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2ccc(C(F)(F)F)cn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
CNR2 P34972 6/20 0.47
CNR1 P21554 3/20 0.47
XBP1 P17861 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CCR6 P51684 2/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
ABCC9 O60706 1/20 0.40
ABCC8 Q09428 1/20 0.40
KCNJ11 Q14654 1/20 0.40
KCNJ8 Q15842 1/20 0.40
PHGDH O43175 1/20 0.40
GRM5 P41594 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL3963551 0.95 CNR2 (0.47) MAPTCNR2CNR1XBP1NPSR1
SCHEMBL3969890 0.91 CNR2 (0.47) MAPTCNR2CNR1XBP1NPSR1
SCHEMBL1464791 0.87 MAPT (0.63) MAPTCNR2XBP1NPSR1POLB
SCHEMBL3965012 0.85 MAPT (0.50) MAPTCNR2CNR1XBP1NPSR1
SCHEMBL1465154 0.84 CNR2 (0.57) CNR2CNR1POLBRAB9ANPC1
SCHEMBL1465718 0.82 CNR2 (0.49) MAPTCNR2CNR1XBP1NPSR1
SCHEMBL1464708 0.81 CNR2 (0.58) MAPTCNR2XBP1NPSR1POLB
SCHEMBL1464594 0.81 CNR2 (0.57) CNR2CNR1CCR6RAB9ANPC1
SCHEMBL1463920 0.79 CNR2 (0.56) MAPTCNR2XBP1NPSR1POLB
SCHEMBL1464878 0.79 CNR2 (0.64) CNR2CNR1CCR6RAB9ANPC1

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