SCHEMBL8043013

SCHEMBL8043013

N#CCNc1cc(F)c(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.41
GAA P10253 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAPT P10636 5/20 0.38
LMNA P02545 3/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 2/20 0.36
KAT2B Q92831 1/20 0.36
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
SERPINE1 P05121 1/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP3A4 P08684 2/20 0.34
AR P10275 2/20 0.34
CES2 O00748 1/20 0.34
ABCB11 O95342 1/20 0.34
CYP1A2 P05177 1/20 0.34
GLA P06280 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CHRM1 P11229 1/20 0.34

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
SCHEMBL8031072 0.87 POLB (0.40) MAPK1GAARXFP1MAPTLMNA
SCHEMBL9863166 0.84 LMNA (0.45) MAPTLMNAKMT2AKAT2BMEN1
SCHEMBL8090673 0.77 SERPINE1 (0.55) MAPK1GAAMAPTLMNAKMT2A
SCHEMBL27499600 0.77 ALDH1A1 (0.41) MAPK1GAAMAPTLMNAKMT2A
SCHEMBL8043016 0.77 MAPT (0.51) MAPK1GAAMAPTLMNASERPINE1
SCHEMBL8200499 0.76 ALDH1A1 (0.55) GAAMAPTLMNAKMT2APOLB
SCHEMBL8194643 0.75 MEN1 (0.42) MAPK1LMNAKMT2AMEN1PKM
SCHEMBL1192664 0.75 NPSR1 (0.48) MAPK1GAAMAPTLMNAKMT2A
SCHEMBL22636966 0.73 AR (0.42) MAPK1RXFP1MAPTLMNAKMT2A
SCHEMBL31510262 0.72 TDP1 (0.47) MAPK1LMNAKMT2AMEN1ALDH1A1

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