SCHEMBL8619480

SCHEMBL8619480

CCOP(=O)(CNc1ccc2ccccc2c1N)OCC

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.49
KDM4E B2RXH2 3/20 0.49
LMNA P02545 2/20 0.49
NCEH1 Q6PIU2 1/20 0.39
NR1I2 O75469 1/20 0.36
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
THRB P10828 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35
PLAU P00749 1/20 0.34
NPY5R Q15761 1/20 0.34
CDC25A P30304 1/20 0.33
CDC25B P30305 1/20 0.33
CDC25C P30307 1/20 0.33

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
SCHEMBL8617763 0.80 HSP90AA1 (0.46) HPGDKDM4ELMNANCEH1NR1I2
SCHEMBL7355150 0.79 CA12 (0.43) HPGDKDM4ELMNANCEH1ALDH1A1
SCHEMBL8624752 0.76 HPGD (0.47) HPGDKDM4ELMNANCEH1NR1I2
SCHEMBL8623668 0.76 HPGD (0.47) HPGDKDM4ELMNANCEH1NR1I2
SCHEMBL7173525 0.76 IDO1 (0.49) HPGDKDM4ELMNANCEH1ALDH1A1
SCHEMBL8619487 0.75 KDM4E (0.37) HPGDKDM4ELMNANCEH1ALDH1A1
SCHEMBL8621614 0.74 HPGD (0.44) HPGDKDM4ELMNANCEH1NR1I2
SCHEMBL8617880 0.74 KDM4E (0.53) HPGDKDM4ELMNANPSR1KMT2A
SCHEMBL2116374 0.70 KDM4E (0.43) HPGDKDM4ELMNAALDH1A1L3MBTL1
SCHEMBL10343358 0.70 CNR1 (0.54) HPGDKDM4ELMNAALDH1A1NPSR1

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
US-5710138-A Benzo f!quinoxalinedione derivatives, their production and use in pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1998-01-20 US disclosed
WO-1994025470-A1 BENZO[F]QUINOXALINDIONE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1994-11-10 WO disclosed