SCHEMBL7490635

SCHEMBL7490635

CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2n1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.48
NOD2 Q9HC29 2/20 0.42
NOD1 Q9Y239 2/20 0.42
MAPT P10636 5/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 3/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 2/20 0.40
F10 P00742 2/20 0.39
LMNA P02545 2/20 0.38
RECQL P46063 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 1/20 0.38
ELANE P08246 1/20 0.38

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
SCHEMBL7247001 0.86 MAPT (0.49) CCR2NOD2NOD1MAPTALDH1A1
SCHEMBL7493053 0.85 NOD2 (0.45) CCR2NOD2NOD1MAPTALDH1A1
SCHEMBL6300699 0.80 CCR2 (0.74) CCR2NOD2NOD1MAPTKDM4E
SCHEMBL7246776 0.80 EDNRB (0.43) CCR2NOD2NOD1MAPTALDH1A1
SCHEMBL17060318 0.80 NOD2 (0.60) CCR2NOD2NOD1MAPTALDH1A1
SCHEMBL7470558 0.79 NOD2 (0.40) CCR2NOD2NOD1MAPTALDH1A1
SCHEMBL8385275 0.79 F10 (0.51) NOD2NOD1MAPTALDH1A1KDM4E
SCHEMBL7496568 0.79 MAPT (0.44) CCR2NOD2NOD1MAPTALDH1A1
SCHEMBL4196083 0.79 NOD2 (0.54) CCR2NOD2NOD1MAPTALDH1A1
SCHEMBL7468828 0.78 EDNRB (0.47) CCR2NOD2NOD1MAPTF10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242075-A4 INDOLE COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2002-12-04 EP disclosed
EP-1242075-A2 INDOLE COMPOUNDS SmithKline Beecham Corporation (US) 2002-09-25 EP disclosed
WO-2001030752-A2 INDOLE COMPOUNDS FOR TREATING BACTERIAL INFECTIONS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-03 WO disclosed