SCHEMBL5216641

SCHEMBL5216641

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.63
KMT2A Q03164 6/20 0.63
CCR2 P41597 6/20 0.57
LMNA P02545 7/20 0.56
ALDH1A1 P00352 6/20 0.56
USP2 O75604 2/20 0.56
KDM4E B2RXH2 1/20 0.56
POLB P06746 1/20 0.56
MAPT P10636 4/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
HTT P42858 2/20 0.55
GAA P10253 1/20 0.55
PSMD14 O00487 1/20 0.52
NPSR1 Q6W5P4 2/20 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

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
SCHEMBL5220567 0.88 CCR2 (0.56) MEN1KMT2ACCR2LMNAALDH1A1
SCHEMBL5220583 0.88 CCR2 (0.56) MEN1KMT2ACCR2LMNAALDH1A1
SCHEMBL25293768 0.88 KMT2A (0.69) MEN1KMT2ALMNAALDH1A1USP2
SCHEMBL5213680 0.86 CCR2 (0.65) CCR2LMNAALDH1A1KDM4EMAPT
SCHEMBL5216535 0.85 CCR2 (0.59) CCR2LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL5214927 0.85 CCR2 (0.59) KMT2ACCR2LMNAALDH1A1MAPT
SCHEMBL8688955 0.85 CCR2 (0.59) MEN1KMT2ACCR2LMNAALDH1A1
SCHEMBL5219665 0.84 CCR2 (0.56) MEN1KMT2ACCR2LMNAALDH1A1
SCHEMBL6302584 0.84 CCR2 (0.62) MEN1KMT2ACCR2LMNAALDH1A1
SCHEMBL5214863 0.84 CCR2 (0.76) CCR2LMNAALDH1A1KDM4EMAPT

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