SCHEMBL4649909

SCHEMBL4649909

O=C(O)c1cc2c(NCc3ccc(-c4cccs4)cc3)cccc2n1Cc1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 12/20 0.50
PTGER4 P35408 1/20 0.42
MAPT P10636 1/20 0.41
F10 P00742 1/20 0.41
POLB P06746 1/20 0.41
ERCC5 P28715 1/20 0.40
ABCB11 O95342 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
SCHEMBL4650663 0.85 CCR2 (0.55) CCR2PTGER4MAPTF10
SCHEMBL4650004 0.84 CCR2 (0.54) CCR2MAPTF10
SCHEMBL4649957 0.83 CCR2 (0.53) CCR2PTGER4MAPTF10
SCHEMBL4653137 0.83 CCR2 (0.47) CCR2PTGER4MAPTF10ABCB11
SCHEMBL4650169 0.83 CCR9 (0.55) CCR2
SCHEMBL4807606 0.81 CCR2 (0.51) CCR2PTGER4MAPTF10
SCHEMBL4748723 0.80 PTGES (0.51) CCR2PTGER4
SCHEMBL4648818 0.79 CCR2 (0.53) CCR2MAPTF10
SCHEMBL4649594 0.77 CCR2 (0.48) CCR2MAPTF10POLB
SCHEMBL4649469 0.74 CCR2 (0.55) 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