SCHEMBL12464010

SCHEMBL12464010

CCN(CC)c1ccc(-c2cc3cc(OC)ccc3c(OC)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.46
ALDH1A1 P00352 5/20 0.46
MAPT P10636 4/20 0.46
L3MBTL1 Q9Y468 4/20 0.46
CASP1 P29466 3/20 0.46
CASP7 P55210 3/20 0.46
HSD17B10 Q99714 3/20 0.46
MAPK1 P28482 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
HPGD P15428 2/20 0.46
LMNA P02545 2/20 0.46
TSHR P16473 1/20 0.46
KDM1A O60341 2/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL13409345 0.89 MAPT (0.42) KDM4EALDH1A1MAPTL3MBTL1CASP1
SCHEMBL8272618 0.86 KDM4E (0.45) KDM4EALDH1A1MAPTL3MBTL1CASP1
SCHEMBL1536493 0.86 KDM4E (0.45) KDM4EALDH1A1MAPTL3MBTL1CASP1
SCHEMBL1536660 0.86 KDM4E (0.45) KDM4EALDH1A1MAPTL3MBTL1CASP1
SCHEMBL13444511 0.80 ALDH1A1 (0.47) KDM4EALDH1A1MAPTCASP7HSD17B10
SCHEMBL13763566 0.80 IDH1 (0.50) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL12463992 0.80 NPC1 (0.48) KDM4EALDH1A1MAPTHSD17B10MAPK1
SCHEMBL8300158 0.79 NPC1 (0.59) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL14801186 0.78 MAPT (0.56) KDM4EALDH1A1MAPTL3MBTL1CASP1
SCHEMBL8621142 0.78 MAPT (0.56) KDM4EALDH1A1MAPTL3MBTL1CASP1

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-2340830-A2 Hepatitis C Virus Inhibitors Bristol-Myers Squibb Company (US) 2011-07-06 EP disclosed