SCHEMBL5488744

SCHEMBL5488744

CCC(Oc1ccc(NC(=O)NC(=O)c2ccc3nccnc3c2)cc1Cl)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.46
MAPT P10636 9/20 0.46
SMN1; SMN2 Q16637 9/20 0.46
GAA P10253 3/20 0.46
NPC1 O15118 11/20 0.43
MEN1 O00255 8/20 0.43
KMT2A Q03164 8/20 0.43
POLB P06746 6/20 0.43
TP53 P04637 3/20 0.43
NFKB1 P19838 3/20 0.42
NFKB2 Q00653 3/20 0.42
RELA Q04206 3/20 0.42
AHR P35869 1/20 0.42
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HTT P42858 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 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
SCHEMBL5493983 0.88 PPARA (0.51) RAB9AMAPTSMN1; SMN2GAANPC1
SCHEMBL5489203 0.83 MAPT (0.41) RAB9AMAPTSMN1; SMN2GAANPC1
SCHEMBL5487291 0.82 RAB9A (0.46) RAB9AMAPTSMN1; SMN2GAANPC1
SCHEMBL5488756 0.80 MAPT (0.49) RAB9AMAPTSMN1; SMN2GAANPC1
SCHEMBL5498824 0.79 RAB9A (0.44) RAB9AMAPTSMN1; SMN2GAANPC1
SCHEMBL5489330 0.78 CCR2 (0.58) RAB9AMAPTSMN1; SMN2GAANPC1
SCHEMBL5491138 0.77 PYGL (0.52) RAB9AMAPTSMN1; SMN2GAANPC1
SCHEMBL5491063 0.77 CCR2 (0.60) RAB9AMAPTSMN1; SMN2GAANPC1
SCHEMBL5493980 0.76 RAB9A (0.44) RAB9AMAPTSMN1; SMN2GAANPC1
SCHEMBL5486853 0.76 KCNH2 (0.44) RAB9AMAPTSMN1; SMN2GAANPC1

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