SCHEMBL27403124

SCHEMBL27403124

CCOC(=O)c1cc2ccccc2n1Cc1ccc(OC)c(Br)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 3/20 0.69
NOD1 Q9Y239 3/20 0.69
F10 P00742 4/20 0.61
KMT2A Q03164 3/20 0.54
MEN1 O00255 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.52
KDM4E B2RXH2 2/20 0.52
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
F2 P00734 1/20 0.48
LMNA P02545 2/20 0.47
TDP1 Q9NUW8 3/20 0.47
POLB P06746 2/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
ATM Q13315 1/20 0.47
SRC P12931 1/20 0.46
CCR2 P41597 3/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL6858374 0.83 NOD2 (0.80) NOD2NOD1F10KMT2AMEN1
SCHEMBL4798323 0.81 NOD2 (0.85) NOD2NOD1F10KMT2AMEN1
SCHEMBL6302610 0.81 NOD2 (0.84) NOD2NOD1F10KMT2AMEN1
SCHEMBL5213582 0.80 NOD2 (0.78) NOD2NOD1F10KMT2AMEN1
SCHEMBL6706704 0.80 NOD2 (0.82) NOD2NOD1F10KMT2AMEN1
SCHEMBL5421098 0.80 NOD2 (0.82) NOD2NOD1F10KMT2AMEN1
SCHEMBL12948823 0.80 NOD2 (0.82) NOD2NOD1F10KMT2AMEN1
SCHEMBL6307843 0.78 NOD2 (0.74) NOD2NOD1F10KMT2AMEN1
SCHEMBL4198841 0.77 NOD2 (0.77) NOD2NOD1F10KMT2AMEN1
SCHEMBL6436885 0.77 NOD2 (0.77) NOD2NOD1F10KMT2AMEN1

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
CN-1096513-A Endothelin-receptor antagonists SMITHKLINE BEECHAM CORP (US) 1994-12-21 CN disclosed