SCHEMBL13619219

SCHEMBL13619219

COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)n[nH]3)ccc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.60
NPC1 O15118 10/20 0.60
MAPT P10636 7/20 0.60
MAPK1 P28482 2/20 0.60
MEN1 O00255 9/20 0.56
KMT2A Q03164 9/20 0.56
ALOX15 P16050 4/20 0.51
KDM4E B2RXH2 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 3/20 0.51
HPGD P15428 2/20 0.51
GAA P10253 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CASP3 P42574 3/20 0.48
SENP8 Q96LD8 3/20 0.48
SENP7 Q9BQF6 3/20 0.48
SENP6 Q9GZR1 3/20 0.48
USP2 O75604 2/20 0.47
NFKB1 P19838 3/20 0.46
NFKB2 Q00653 3/20 0.46

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
SCHEMBL2251620 0.89 RAB9A (0.77) RAB9ANPC1MAPTMAPK1MEN1
SCHEMBL9050226 0.79 RAB9A (0.84) RAB9ANPC1MAPTMAPK1MEN1
SCHEMBL15425049 0.77 MAPT (0.54) RAB9ANPC1MAPTMAPK1MEN1
SCHEMBL15425050 0.77 NPC1 (0.64) RAB9ANPC1MAPTMAPK1MEN1
SCHEMBL1181434 0.76 RAB9A (1.00) RAB9ANPC1MAPTMAPK1MEN1
SCHEMBL2089082 0.76 DYRK1A (0.77) RAB9ANPC1MAPTMAPK1MEN1
SCHEMBL1181118 0.74 RAB9A (0.77) RAB9ANPC1MAPTMAPK1MEN1
SCHEMBL22307585 0.74 RAB9A (0.81) RAB9ANPC1MAPTMAPK1MEN1
SCHEMBL14910131 0.73 NPC1 (0.51) RAB9ANPC1MAPTMAPK1MEN1
SCHEMBL1608353 0.72 MAPT (0.63) RAB9ANPC1MAPTMAPK1MEN1

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
WO-2009140342-A1 GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE SCHERING CORPORATION (US) 2009-11-19 WO disclosed