SCHEMBL4649882

SCHEMBL4649882

O=C(O)c1cc2c([N+](=O)[O-])cccc2n1Cc1cccc(Cl)c1

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 18/20 0.78
RECQL P46063 1/20 0.50
MAPT P10636 1/20 0.48

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
SCHEMBL6302608 0.88 CCR2 (1.00) CCR2
SCHEMBL4649521 0.85 CCR2 (0.58) CCR2RECQLMAPT
SCHEMBL4650687 0.80 CCR2 (0.51) CCR2RECQLMAPT
SCHEMBL4649881 0.79 CCR2 (0.52) CCR2RECQLMAPT
SCHEMBL6303579 0.79 CCR2 (0.85) CCR2
SCHEMBL4649911 0.77 CCR2 (0.52) CCR2MAPT
SCHEMBL3957310 0.77 CCR2 (1.00) CCR2
SCHEMBL6599632 0.76 CCR2 (0.61) CCR2MAPT
SCHEMBL6303401 0.74 CCR2 (0.74) CCR2MAPT
SCHEMBL4650663 0.72 CCR2 (0.55) CCR2MAPT

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