SCHEMBL8618773

SCHEMBL8618773

CCCCCC(Nc1c(N)cc([N+](=O)[O-])c2ccccc12)P(=O)(OCC)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
LMNA P02545 3/20 0.35
HPGD P15428 2/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
CTSB P07858 1/20 0.34
MAPT P10636 7/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
GAA P10253 1/20 0.34
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL8622164 0.93 CA12 (0.42) CA12CA1CA2CA9LMNA
SCHEMBL8622844 0.92 LMNA (0.41) CA12CA1CA2CA9LMNA
SCHEMBL8624112 0.90 CA12 (0.44) CA12CA1CA2CA9LMNA
SCHEMBL9051538 0.88 CA12 (0.37) CA12CA1CA2CA9LMNA
SCHEMBL8621433 0.84 MAPT (0.42) CA12CA1CA2CA9LMNA
SCHEMBL8616777 0.83 CA12 (0.44) CA12CA1CA2CA9LMNA
SCHEMBL8618782 0.82 HPGD (0.35) LMNAHPGDATMTDP1CTSB
SCHEMBL8622969 0.81 MAPT (0.44) CA12CA1CA2CA9LMNA
SCHEMBL8616856 0.81 KDM4E (0.48) CA12CA1CA2CA9TDP1
SCHEMBL9039361 0.79 TDP1 (0.37) CA12CA1CA2CA9LMNA

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