SCHEMBL27622261

SCHEMBL27622261

O=C(O)C(c1ncco1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.46
CTSA P10619 10/20 0.40
SRC P12931 1/20 0.37
LMNA P02545 2/20 0.36
MAPK1 P28482 1/20 0.36
CES1 P23141 1/20 0.35

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
SCHEMBL6426003 0.80 CYP2D6 (0.44) CYP2D6CTSASRCLMNAMAPK1
SCHEMBL4805668 0.74 CTSA (0.42) CTSALMNA
SCHEMBL474256 0.74 SMN1; SMN2 (0.48) CTSALMNA
SCHEMBL7824501 0.72 CYP2D6 (0.76) CYP2D6SRCLMNAMAPK1CES1
SCHEMBL9030789 0.72 CTSA (0.46) CTSACES1
SCHEMBL4327553 0.71 CTSA (0.41) CTSA
SCHEMBL20773271 0.70 CTSA (0.39) CTSA
SCHEMBL1803210 0.70 DPP4 (0.38) CTSA
SCHEMBL4004965 0.70 TSHR (0.38) CTSALMNA
SCHEMBL4341896 0.70 CTSA (0.38) CTSA

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-1747731-A Imidazopyridines containing combinations and their use in treating gastrointestinal inflammatory disorders ALTANA PHARMA AG (DE) 2006-03-15 CN claimed