SCHEMBL7076382

SCHEMBL7076382

Cc1cccc(Cn2c(OC(=O)O)cc3cc([N+](=O)[O-])ccc32)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.51
PLA2G2A P14555 2/20 0.45
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
POLB P06746 1/20 0.42
ECE1 P42892 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
F2 P00734 2/20 0.40
PLAU P00749 2/20 0.40
ELANE P08246 2/20 0.40
CTRB1 P17538 2/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
ACHE P22303 1/20 0.40
CACNB4 O00305 1/20 0.40
CACNA1A O00555 1/20 0.40
CACNA1G O43497 1/20 0.40
CACNG3 O60359 1/20 0.40
CACNA1F O60840 1/20 0.40
CACNA1H O95180 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
SCHEMBL7074174 0.88 CCR2 (0.61) CCR2PLA2G2AKMT2AMEN1POLB
SCHEMBL7077284 0.85 CCR2 (0.48) CCR2KMT2AMEN1MAPT
SCHEMBL6308922 0.84 CCR2 (0.71) CCR2PLA2G2AECE1
SCHEMBL7071931 0.82 CCR2 (0.72) CCR2
SCHEMBL6177863 0.81 CCR2 (0.43) CCR2PLA2G2AKMT2AMEN1POLB
SCHEMBL6173483 0.79 KMT2A (0.45) CCR2KMT2AMEN1POLBMAPT
SCHEMBL6174275 0.78 CCR2 (0.42) CCR2KMT2AMEN1ECE1L3MBTL1
SCHEMBL8131716 0.78 MAPT (0.50) CCR2KMT2AMEN1POLBL3MBTL1
SCHEMBL7129310 0.78 CCR2 (0.48) CCR2KMT2AMEN1MAPTALDH1A1
SCHEMBL6172299 0.75 PPARG (0.43) CCR2KMT2AMEN1POLBMAPT

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