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Sugi Predict / Compounds / SCHEMBL3961824

SCHEMBL3961824

SCHEMBL3961824

CC(C)(C(=O)Nc1nc(C2CCCCC2)cs1)S(=O)(=O)c1ccc(Cl)cc1.CCCc1cc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)on1.CCc1sc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)nc1-c1ccccc1.Cc1c(-c2ccccc2)nn(C)c1NC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1.Cc1noc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)c1-c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CNR2 P34972 3/20 0.32
▸ RORC P51449 2/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ CNR1 P21554 1/20 0.30

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
Propionamide SCHEMBL4072655 0.81 KCNQ1 (0.31) —
SCHEMBL3963813 0.80 RORC (0.46) HTTKDM4ELMNACNR2RORC
SCHEMBL3963530 0.73 CNR2 (0.31) CNR2
SCHEMBL4078959 0.72 ALDH1A1 (0.39) KDM4ELMNACNR2SMN1; SMN2CNR1
SCHEMBL4159230 0.71 ALDH1A1 (0.46) HTTKDM4ELMNARORCSMN1; SMN2
SCHEMBL1465949 0.70 RORC (0.56) KDM4ECNR2RORCCNR1
SCHEMBL1464912 0.69 HTT (0.57) HTTKDM4ELMNACNR2RORC
SCHEMBL1464703 0.68 CNR2 (0.57) CNR2CNR1
SCHEMBL1464589 0.68 CNR2 (0.58) KDM4ECNR2CNR1
SCHEMBL1465876 0.67 CNR2 (0.59) CNR2CNR1

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