SCHEMBL4649840

SCHEMBL4649840

CCOc1ccc2ccccc2c1CNc1cccc2c1cc(C(=O)O)n2Cc1cccc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 8/20 0.52
MAPT P10636 2/20 0.42
F10 P00742 2/20 0.41
CCR9 P51686 1/20 0.41
TP53 P04637 3/20 0.41
MCL1 Q07820 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
PLA2G2A P14555 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL4649469 0.80 CCR2 (0.55) CCR2MAPTF10TP53PLA2G2A
SCHEMBL4650663 0.79 CCR2 (0.55) CCR2MAPTF10CCR9PLA2G2A
SCHEMBL4649957 0.76 CCR2 (0.53) CCR2MAPTF10CCR9PLA2G2A
SCHEMBL4652792 0.75 CCR2 (0.49) CCR2MAPTTP53MCL1MAPK1
SCHEMBL4650169 0.75 CCR9 (0.55) CCR2CCR9
SCHEMBL4650004 0.73 CCR2 (0.54) CCR2MAPTF10CCR9PLA2G2A
SCHEMBL4648818 0.73 CCR2 (0.53) CCR2MAPTF10CCR9
SCHEMBL4748723 0.73 PTGES (0.51) CCR2PLA2G2A
SCHEMBL4807606 0.72 CCR2 (0.51) CCR2MAPTF10
SCHEMBL4649909 0.71 CCR2 (0.50) CCR2MAPTF10

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-1904487-A2 INDOLE DERIVATIVES FOR THE TREATMENT OF TUBERCULOSIS AstraZeneca AB (SE) 2008-04-02 EP disclosed
WO-2006067392-A2 INDOLE DERIVATIVES FOR THE TREATMENT OF TUBERCULOSIS ASTRAZENECA AB (SE) 2006-06-29 WO disclosed