SCHEMBL5493983

SCHEMBL5493983

O=C(NC(=O)c1ccc2nccnc2c1)Nc1ccc(OC(Cc2ccccc2)C(=O)O)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.51
RAB9A P51151 7/20 0.45
MAPT P10636 7/20 0.45
NPC1 O15118 6/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
POLB P06746 3/20 0.43
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
HTT P42858 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PPARG P37231 2/20 0.42
FPR2 P25090 1/20 0.42
AHR P35869 1/20 0.41
KCNH2 Q12809 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
SCHEMBL5488744 0.88 RAB9A (0.46) RAB9AMAPTNPC1SMN1; SMN2NFKB1
SCHEMBL5486853 0.81 KCNH2 (0.44) RAB9AMAPTNPC1SMN1; SMN2MEN1
SCHEMBL5487291 0.80 RAB9A (0.46) RAB9AMAPTNPC1SMN1; SMN2NFKB1
SCHEMBL5498824 0.77 RAB9A (0.44) RAB9AMAPTNPC1SMN1; SMN2NFKB1
SCHEMBL5489330 0.76 CCR2 (0.58) RAB9AMAPTNPC1SMN1; SMN2NFKB1
SCHEMBL5493980 0.76 RAB9A (0.44) RAB9AMAPTNPC1SMN1; SMN2NFKB1
SCHEMBL5491138 0.75 PYGL (0.52) RAB9AMAPTNPC1SMN1; SMN2NFKB1
SCHEMBL5488756 0.75 MAPT (0.49) RAB9AMAPTNPC1SMN1; SMN2NFKB1
SCHEMBL5491063 0.74 CCR2 (0.60) RAB9AMAPTNPC1SMN1; SMN2NFKB1
SCHEMBL5496386 0.73 ACLY (0.52) RAB9AMAPTNPC1SMN1; SMN2NFKB1

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
US-7297696-B2 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. (US) 2007-11-20 US claimed