SCHEMBL7899101

SCHEMBL7899101

CCN(CCC#N)c1ccc(C=Cc2ccc(N(C)C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
RELA Q04206 1/20 0.46
MEN1 O00255 5/20 0.45
MAPT P10636 5/20 0.45
KMT2A Q03164 5/20 0.45
CASP1 P29466 2/20 0.45
HBB P68871 2/20 0.45
GAA P10253 1/20 0.45
BRCA1 P38398 1/20 0.45
CASP7 P55210 1/20 0.45
APP P05067 5/20 0.45
KDM4A O75164 2/20 0.44
KDM2A Q9Y2K7 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
ALOX15 P16050 1/20 0.44
RAB9A P51151 1/20 0.44
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
ALDH1A1 P00352 4/20 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
SCHEMBL9915622 1.00 KDM4E (0.50) KDM4ERELAMEN1MAPTKMT2A
SCHEMBL9915874 0.83 CHKA (0.41) KDM4EMEN1KMT2AALDH1A1THRB
SCHEMBL8722764 0.83 ALDH1A1 (0.65) KDM4EMEN1MAPTKMT2ACASP1
SCHEMBL13223082 0.82 KDM4A (0.54) KDM4ERELAMEN1MAPTKMT2A
SCHEMBL13223084 0.80 KDM4A (0.59) RELAMEN1MAPTKMT2ACASP1
SCHEMBL5556476 0.77 ALDH1A1 (0.41) KDM4EMEN1MAPTKMT2AGAA
SCHEMBL10046157 0.77 MAPT (0.52) KDM4ERELAMEN1MAPTKMT2A
SCHEMBL9915623 0.77 KDM4A (0.49) RELAMEN1MAPTKMT2ACASP1
SCHEMBL7717422 0.77 KDM4A (0.49) RELAMEN1MAPTKMT2ACASP1
SCHEMBL11225008 0.76 ALDH1A1 (0.41) KDM4EMEN1MAPTKMT2AGAA

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-6267913-B1 IN HOLOGRAPHYL, BIOLOGY, OPTICAL DATA STORAGE CALIFORNIA INSTITUTE OF TECHNOLOGY 2001-07-31 US disclosed