SCHEMBL20056417

SCHEMBL20056417

COc1ccc(-c2cccc(-c3ccc(OC)c(C)c3)n2)cc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.58
KDM4E B2RXH2 4/20 0.58
RAB9A P51151 7/20 0.52
NPC1 O15118 6/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
LMNA P02545 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
PDGFRB P09619 1/20 0.50
PDGFRA P16234 1/20 0.50
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
FPR2 P25090 1/20 0.46
USP2 O75604 2/20 0.45
MAPK1 P28482 2/20 0.45
HSD17B10 Q99714 2/20 0.45
GAA P10253 2/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL16385162 0.91 RAB9A (0.59) MAPTKDM4ERAB9ANPC1MEN1
SCHEMBL16385156 0.89 KDM4E (0.51) MAPTKDM4ERAB9ANPC1MEN1
SCHEMBL16385399 0.86 KDM4E (0.49) MAPTKDM4ERAB9ANPC1MEN1
SCHEMBL17144996 0.85 KDM4E (0.65) MAPTKDM4ERAB9ANPC1MEN1
SCHEMBL16385157 0.85 MAPT (0.48) MAPTKDM4ERAB9ANPC1MEN1
SCHEMBL8775655 0.81 NPC1 (0.50) MAPTKDM4ERAB9ANPC1MEN1
SCHEMBL10207982 0.81 NPC1 (0.54) MAPTKDM4ERAB9ANPC1MEN1
SCHEMBL3995066 0.80 ALDH1A1 (0.60) MAPTKDM4ERAB9ANPC1MEN1
SCHEMBL16385406 0.80 KDM4E (0.52) MAPTKDM4ERAB9ANPC1MEN1
SCHEMBL12326161 0.80 PDGFRB (0.58) MAPTKDM4ERAB9ANPC1LMNA

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
EP-2970353-B1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS VERTEX PHARMA (US) 2018-04-18 EP disclosed