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Sugi Predict / Compounds / SCHEMBL3962815

SCHEMBL3962815

SCHEMBL3962815

CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)nc2)no1.CC(C)(C)c1csc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(F)cc2)n1.COc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2cc(C(C)(C)C)nn2C)cn1.COc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2cc(C(C)(C)C)on2)cn1.Cn1nc(C(C)(C)C)cc1NC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)nc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 8/20 0.45
▸ CNR1 P21554 6/20 0.45
▸ MAPK14 Q16539 4/20 0.33
▸ MAPT P10636 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ FLT3 P36888 1/20 0.32
▸ MAPK1 P28482 1/20 0.31
▸ NTRK1 P04629 1/20 0.31
▸ RET P07949 1/20 0.31
▸ DDR2 Q16832 1/20 0.31
▸ PHGDH O43175 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL3963697 0.89 CNR2 (0.54) CNR2CNR1MAPK14MAPTKDM4E
SCHEMBL3963607 0.85 CNR2 (0.55) CNR2CNR1MAPK14MAPTGAA
SCHEMBL3963097 0.82 CNR2 (0.54) CNR2CNR1MAPK14MAPTKDM4E
SCHEMBL3956621 0.78 CNR2 (0.49) CNR2CNR1MAPK14MAPTKDM4E
SCHEMBL4217781 0.77 MAPK1 (0.37) CNR2CNR1MAPTKDM4ENPSR1
SCHEMBL1465096 0.76 CNR2 (0.66) CNR2MAPK14MAPTNTRK1LMNA
SCHEMBL1464720 0.76 KMT2A (0.47) MAPTKDM4ENPSR1GAAMAPK1
SCHEMBL1464294 0.76 CNR2 (0.66) CNR2CNR1MAPK14MAPTNPSR1
SCHEMBL1464646 0.74 CNR2 (0.76) CNR2CNR1MAPK14MAPTKDM4E
SCHEMBL1465890 0.74 CNR2 (0.76) CNR2CNR1MAPK14MAPTLMNA

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