SCHEMBL8898413

SCHEMBL8898413

CCCCCC(CC)c1c(CC)ccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.39
KMT2A Q03164 5/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ATM Q13315 2/20 0.38
NR1I2 O75469 1/20 0.38
GAA P10253 6/20 0.37
ALDH1A1 P00352 5/20 0.37
NPC1 O15118 4/20 0.37
HTT P42858 4/20 0.37
RAB9A P51151 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
MEN1 O00255 4/20 0.37
TDP1 Q9NUW8 2/20 0.37
GLA P06280 1/20 0.37
RCE1 Q9Y256 1/20 0.37
CNR1 P21554 3/20 0.36
CNR2 P34972 3/20 0.36
NPSR1 Q6W5P4 4/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 2/20 0.36

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
SCHEMBL8896377 0.85 LMNA (0.33) KDM4EKMT2AL3MBTL1ATMGAA
SCHEMBL8898063 0.82 MEN1 (0.32) KDM4EKMT2AL3MBTL1ATMGAA
SCHEMBL8895627 0.79 ATM (0.33) KMT2AATMMEN1
SCHEMBL8898141 0.79 MEN1 (0.33) KDM4EKMT2AL3MBTL1ATMGAA
SCHEMBL20025904 0.78 KDM4E (0.39) KDM4EKMT2AL3MBTL1ATMGAA
SCHEMBL11235332 0.78 TLR8 (0.38) KDM4EKMT2AL3MBTL1ATMGAA
SCHEMBL5457450 0.77 NCEH1 (0.46) KDM4EKMT2AATMGAAALDH1A1
SCHEMBL8898418 0.77 KDM4E (0.37) KDM4EKMT2AL3MBTL1NR1I2GAA
SCHEMBL11046112 0.76 KDM4E (0.40) KDM4EKMT2AL3MBTL1GAAALDH1A1
SCHEMBL2126040 0.75 ALDH1A1 (0.43) KDM4EKMT2AL3MBTL1NR1I2ALDH1A1

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-5703091-A N-substituted azabicycloalkane derivatives, their preparation and use BASF AKTIENGESELLSCHAFT (DE) 1997-12-30 US disclosed