SCHEMBL5217434

SCHEMBL5217434

CCOC(=O)c1c([S+]([O-])N2CCS(=O)(=O)CC2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 12/20 0.48
HTT P42858 2/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 3/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ABCB11 O95342 1/20 0.38
NOD2 Q9HC29 1/20 0.38
NOD1 Q9Y239 1/20 0.38
MEN1 O00255 1/20 0.36

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
SCHEMBL6905363 0.93 CCR2 (0.48) CCR2HTTLMNAMAPTSMN1; SMN2
SCHEMBL5215724 0.90 CCR2 (0.50) CCR2HTTLMNAMAPTSMN1; SMN2
SCHEMBL5214254 0.82 CCR2 (0.52) CCR2HTTLMNAMAPTSMN1; SMN2
SCHEMBL5214826 0.81 CCR2 (0.48) CCR2HTTLMNAMAPTSMN1; SMN2
SCHEMBL5213680 0.77 CCR2 (0.65) CCR2HTTLMNAMAPTSMN1; SMN2
SCHEMBL8688955 0.76 CCR2 (0.59) CCR2HTTLMNAMAPTSMN1; SMN2
SCHEMBL5214927 0.76 CCR2 (0.59) CCR2HTTLMNAMAPTSMN1; SMN2
SCHEMBL5216535 0.76 CCR2 (0.59) CCR2HTTLMNAMAPTSMN1; SMN2
SCHEMBL6302584 0.75 CCR2 (0.62) CCR2HTTLMNAMAPTSMN1; SMN2
SCHEMBL5214863 0.75 CCR2 (0.76) CCR2HTTLMNAMAPTSMN1; SMN2

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-1173421-B1 INDOLE DERIVATIVES AS ANTI-INFLAMMATION AGENTS ASTRAZENECA AB (SE) 2007-10-03 EP disclosed
US-6833387-B1 3-substituted indoles; inhibition of monocyte chemoattractant protein-1 and/or RANTES induced chemotaxis; inflammatory diseases ASTRAZENECA AB (SE) 2004-12-21 US disclosed