SCHEMBL5493980

SCHEMBL5493980

CC(Oc1ccc(NC(=O)NC(=O)c2ccc3nccnc3c2)cc1Cl)(C(=O)O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.44
NPC1 O15118 8/20 0.44
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
POLB P06746 4/20 0.44
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
SMN1; SMN2 Q16637 7/20 0.42
GAA P10253 3/20 0.42
TP53 P04637 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B10 Q99714 1/20 0.42
BRAF P15056 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL5487291 0.79 RAB9A (0.46) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL5489330 0.77 CCR2 (0.58) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL5488744 0.76 RAB9A (0.46) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL5486853 0.76 KCNH2 (0.44) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL5493983 0.76 PPARA (0.51) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL5498824 0.76 RAB9A (0.44) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL5491138 0.75 PYGL (0.52) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL5488756 0.75 MAPT (0.49) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL5491063 0.75 CCR2 (0.60) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL5496386 0.73 ACLY (0.52) RAB9ANPC1MEN1KMT2APOLB

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