SCHEMBL8354518

SCHEMBL8354518

Bc1cccc(-n2c(C)ccc2C)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.38
ALDH1A1 P00352 7/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
MAPT P10636 5/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALOX15 P16050 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
GAA P10253 4/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
MPI P34949 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
USP2 O75604 2/20 0.32
HTT P42858 2/20 0.32

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
SCHEMBL18586993 0.84 MAPT (0.45) KDM4EALDH1A1L3MBTL1MAPTMEN1
SCHEMBL2019468 0.78 HTR3E (0.50) KDM4EALDH1A1L3MBTL1MAPTMEN1
SCHEMBL30464689 0.78 HTR3E (0.50) KDM4EALDH1A1L3MBTL1MAPTMEN1
SCHEMBL5777870 0.75 GRIN2D (0.41) KDM4EALDH1A1L3MBTL1MAPTMEN1
SCHEMBL1455672 0.75 HTR3E (0.50) KDM4EALDH1A1L3MBTL1MAPTMEN1
SCHEMBL5471490 0.75 NOS3 (0.50) KDM4EALDH1A1L3MBTL1MAPTMEN1
SCHEMBL881162 0.72 KDM4E (0.42) KDM4EALDH1A1L3MBTL1MAPTNPC1
SCHEMBL2015923 0.72 PDE10A (0.36) KDM4EALDH1A1L3MBTL1MAPTMEN1
SCHEMBL2969497 0.72 KDM4E (0.33) KDM4EALDH1A1L3MBTL1MAPTMEN1
SCHEMBL2969912 0.71 RAB9A (0.54) KDM4EALDH1A1MAPTMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1565467-B1 NOVEL VITRONECTIN RECEPTOR ANTAGONIST DERIVATIVES, METHOD FOR PREPARING SAME, USE THEREOF AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME GALAPAGOS SAS (FR) 2009-05-20 EP disclosed
WO-2004048375-A1 NOVEL VITRONECTIN RECEPTOR ANTAGONIST DERIVATIVES, METHOD FOR PREPARING SAME, USE THEREOF AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME PROSKELIA SAS (FR) 2004-06-10 WO disclosed