SCHEMBL8041727

SCHEMBL8041727

N#CCCNc1cc(N2CCOCC2)c(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.49
ALDH1A1 P00352 6/20 0.49
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SERPINE1 P05121 2/20 0.49
RAB9A P51151 1/20 0.46
MAPK1 P28482 1/20 0.43
LMNA P02545 3/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL8043016 0.90 MAPT (0.51) MAPTALDH1A1TDP1L3MBTL1SERPINE1
SCHEMBL9035671 0.82 MAPT (0.48) MAPTALDH1A1TDP1L3MBTL1SERPINE1
SCHEMBL8031072 0.78 POLB (0.40) MAPTALDH1A1RAB9AMAPK1LMNA
SCHEMBL8123521 0.77 SERPINE1 (0.53) MAPTALDH1A1TDP1L3MBTL1SERPINE1
SCHEMBL5563843 0.73 SERPINE1 (0.44) MAPTALDH1A1TDP1L3MBTL1SERPINE1
SCHEMBL8346017 0.73 SERPINE1 (0.53) MAPTALDH1A1TDP1L3MBTL1SERPINE1
SCHEMBL8044678 0.70 KDM4E (0.45) ALDH1A1LMNAKDM4ESMN1; SMN2POLB
SCHEMBL5166296 0.70 MAPT (0.48) MAPTALDH1A1TDP1L3MBTL1SERPINE1
SCHEMBL8340870 0.69 GAA (0.62) MAPTALDH1A1L3MBTL1RAB9AMAPK1
SCHEMBL11484119 0.67 SLC6A9 (0.48) MAPTALDH1A1TDP1RAB9AMAPK1

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
EP-0993461-A1 NEW QUINOXALINE DIONE DERIVATIVES, THE PRODUCTION THEREOF AND USE OF THE SAME IN MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 2000-04-19 EP disclosed
WO-1999000384-A1 NEW QUINOXALINE DIONE DERIVATIVES, THE PRODUCTION THEREOF AND USE OF THE SAME IN MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1999-01-07 WO disclosed