SCHEMBL8617880

SCHEMBL8617880

CCOP(=O)(OCC)C(Nc1ccc2ccccc2c1N)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
NPSR1 Q6W5P4 2/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 1/20 0.44
POLB P06746 2/20 0.44
EPHX2 P34913 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
PTGS2 P35354 3/20 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
SCHEMBL9038096 0.86 KDM4E (0.41) KDM4ECA12CA1CA2CA9
SCHEMBL8624752 0.84 HPGD (0.47) KDM4ECA12CA2NPSR1MAPT
SCHEMBL8623668 0.84 HPGD (0.47) KDM4ECA12CA2NPSR1MAPT
SCHEMBL8620761 0.82 KDM4E (0.49) KDM4ECA12CA1CA2CA9
SCHEMBL8621614 0.81 HPGD (0.44) KDM4ECA12CA1CA2CA9
SCHEMBL8617884 0.79 ACP3 (0.36) KDM4ECA12CA2NPSR1
SCHEMBL8619480 0.74 HPGD (0.49) KDM4ENPSR1MAPTLMNAHPGD
SCHEMBL8616856 0.72 KDM4E (0.48) KDM4ECA12CA1CA2CA9
SCHEMBL9791421 0.72 KDM4E (0.62) KDM4ECA12CA1CA2CA9
SCHEMBL9052382 0.71 KDM4E (0.39) KDM4ECA12CA1CA2CA9

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 3 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
EP-0696289-B1 BENZO[F]QUINOXALINDIONE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN DRUGS SCHERING AG (DE) 1997-03-12 EP disclosed
WO-1994025470-A1 BENZO[F]QUINOXALINDIONE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1994-11-10 WO disclosed