SCHEMBL7074174

SCHEMBL7074174

O=C(O)Oc1cc2cc([N+](=O)[O-])ccc2n1Cc1cccc(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 7/20 0.61
CFTR P13569 2/20 0.45
LMNA P02545 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
PLA2G2A P14555 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
RECQL P46063 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL7076382 0.88 CCR2 (0.51) CCR2ALDH1A1MAPTPOLBPLA2G2A
SCHEMBL7071931 0.86 CCR2 (0.72) CCR2SMN1; SMN2
SCHEMBL7077284 0.85 CCR2 (0.48) CCR2LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL6303579 0.84 CCR2 (0.85) CCR2
SCHEMBL6177863 0.81 CCR2 (0.43) CCR2LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL7129310 0.80 CCR2 (0.48) CCR2CFTRALDH1A1MAPTSMN1; SMN2
SCHEMBL6174275 0.78 CCR2 (0.42) CCR2KMT2AMEN1L3MBTL1
SCHEMBL8131716 0.78 MAPT (0.50) CCR2LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL6173483 0.77 KMT2A (0.45) CCR2CFTRLMNAALDH1A1MAPT
SCHEMBL7072404 0.75 CCR2 (0.67) CCR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1003504-B1 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 ANTAGONISTS ASTRAZENECA AB (SE) 2003-07-02 EP claimed