SCHEMBL8622301

SCHEMBL8622301

CCOP(=O)(OCC)C(C)Nc1ccc2ccccc2c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
TSHR P16473 1/20 0.44
KDM4E B2RXH2 3/20 0.43
HPGD P15428 2/20 0.43
LMNA P02545 2/20 0.43
NCEH1 Q6PIU2 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.39
ALDH1A1 P00352 1/20 0.39
THRB P10828 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CYP3A4 P08684 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL8622260 0.88 HSP90AA1 (0.45) HSP90AA1CRHBPCRHR2TSHRKDM4E
SCHEMBL8620761 0.85 KDM4E (0.49) HSP90AA1CRHBPCRHR2TSHRKDM4E
SCHEMBL8623627 0.85 HSP90AA1 (0.42) HSP90AA1CRHBPCRHR2TSHRKDM4E
SCHEMBL9052382 0.84 KDM4E (0.39) HSP90AA1CRHBPCRHR2KDM4ELMNA
SCHEMBL7358973 0.82 HSP90AA1 (0.49) HSP90AA1CRHBPCRHR2TSHRKDM4E
SCHEMBL8622309 0.81 HSP90AA1 (0.42) HSP90AA1CRHBPCRHR2TSHRKDM4E
SCHEMBL8623668 0.81 HPGD (0.47) KDM4EHPGDLMNANCEH1L3MBTL1
SCHEMBL8617763 0.79 HSP90AA1 (0.46) HSP90AA1CRHBPCRHR2TSHRKDM4E
SCHEMBL8622264 0.75 HSP90AA1 (0.41) HSP90AA1CRHBPCRHR2TSHRKDM4E
SCHEMBL27338315 0.74 HSP90AA1 (0.49) HSP90AA1CRHBPCRHR2TSHRKDM4E

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