SCHEMBL5213262

SCHEMBL5213262

CCOC(=O)c1c(S(=O)O)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 12/20 0.57
LMNA P02545 2/20 0.55
MAPT P10636 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
GAA P10253 1/20 0.55
HTT P42858 1/20 0.55
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
ABCB11 O95342 1/20 0.45
NOD2 Q9HC29 1/20 0.45
NOD1 Q9Y239 1/20 0.45
MDM2 Q00987 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
F10 P00742 1/20 0.43

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
SCHEMBL5213680 0.86 CCR2 (0.65) CCR2LMNAMAPTSMN1; SMN2GAA
SCHEMBL5216535 0.85 CCR2 (0.59) CCR2LMNAMAPTSMN1; SMN2GAA
SCHEMBL8688955 0.85 CCR2 (0.59) CCR2LMNAMAPTSMN1; SMN2GAA
SCHEMBL5214927 0.85 CCR2 (0.59) CCR2LMNAMAPTSMN1; SMN2GAA
SCHEMBL5214863 0.84 CCR2 (0.76) CCR2LMNAMAPTSMN1; SMN2GAA
SCHEMBL6302584 0.84 CCR2 (0.62) CCR2LMNAMAPTSMN1; SMN2GAA
SCHEMBL5216641 0.83 MEN1 (0.63) CCR2LMNAMAPTSMN1; SMN2GAA
SCHEMBL5219665 0.82 CCR2 (0.56) CCR2LMNAMAPTSMN1; SMN2GAA
SCHEMBL5220576 0.81 CCR2 (0.61) CCR2LMNAMAPTSMN1; SMN2GAA
SCHEMBL5216188 0.80 CCR2 (0.56) CCR2LMNAMAPTSMN1; SMN2GAA

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 4 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
EP-1173421-A2 INDOLE DERIVATIVES AS ANTI-INFLAMMATION AGENTS AstraZeneca AB (SE) 2002-01-23 EP disclosed
WO-2000046199-A2 INDOLE DERIVATIVES AS ANTI-INFLAMMATION AGENTS ASTRAZENECA AB (SE) 2000-08-10 WO disclosed