SCHEMBL3965012

SCHEMBL3965012

Cc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2cc(-c3ccccc3)nn2C)cc1.Cc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2cccc(C(F)(F)F)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
CNR2 P34972 4/20 0.48
POLB P06746 1/20 0.43
PHGDH O43175 3/20 0.42
XBP1 P17861 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GRM5 P41594 1/20 0.41
RAB9A P51151 1/20 0.41
CNR1 P21554 2/20 0.40
NTRK1 P04629 2/20 0.40
LMNA P02545 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
SCHEMBL3969890 0.90 CNR2 (0.47) MAPTCNR2POLBPHGDHXBP1
SCHEMBL3962721 0.88 CNR2 (0.62) MAPTCNR2GRM5CNR1LMNA
SCHEMBL1464791 0.88 MAPT (0.63) MAPTCNR2POLBPHGDHXBP1
SCHEMBL3961312 0.85 MAPT (0.48) MAPTCNR2POLBPHGDHXBP1
SCHEMBL1464708 0.84 CNR2 (0.58) MAPTCNR2POLBPHGDHXBP1
SCHEMBL1464304 0.84 CNR2 (0.50) CNR2GRM5CNR1
SCHEMBL3969896 0.82 CNR2 (0.61) MAPTCNR2PHGDHGRM5CNR1
SCHEMBL1465718 0.82 CNR2 (0.49) MAPTCNR2POLBPHGDHXBP1
SCHEMBL1464507 0.81 TAS2R14 (0.52) CNR2GRM5CNR1
SCHEMBL3963551 0.81 CNR2 (0.47) MAPTCNR2POLBXBP1NPSR1

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