SCHEMBL9035671

SCHEMBL9035671

CNc1cc(N2CCOCC2)c(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.48
ALDH1A1 P00352 5/20 0.48
TDP1 Q9NUW8 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
SERPINE1 P05121 2/20 0.48
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 2/20 0.45
LMNA P02545 2/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
MAPK1 P28482 3/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 2/20 0.42
CTSB P07858 1/20 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
SCHEMBL8043016 0.87 MAPT (0.51) MAPTALDH1A1TDP1L3MBTL1SERPINE1
SCHEMBL5563843 0.82 SERPINE1 (0.44) MAPTALDH1A1TDP1L3MBTL1SERPINE1
SCHEMBL8041727 0.82 MAPT (0.49) MAPTALDH1A1TDP1L3MBTL1SERPINE1
SCHEMBL9900549 0.81 MAPT (0.66) MAPTALDH1A1TDP1L3MBTL1CYP1A2
SCHEMBL8123521 0.80 SERPINE1 (0.53) MAPTALDH1A1TDP1L3MBTL1SERPINE1
SCHEMBL5166296 0.79 MAPT (0.48) MAPTALDH1A1TDP1L3MBTL1SERPINE1
SCHEMBL9039303 0.78 ALDH1A1 (0.49) MAPTALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL9944998 0.77 MAPT (0.47) MAPTALDH1A1TDP1L3MBTL1CYP1A2
SCHEMBL8346017 0.76 SERPINE1 (0.53) MAPTALDH1A1TDP1L3MBTL1SERPINE1
SCHEMBL6612169 0.73 SERPINE1 (0.48) MAPTALDH1A1SERPINE1NPSR1LMNA

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-0696288-A1 QUINOXALINDIONE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1996-02-14 EP disclosed
WO-1994025469-A1 QUINOXALINDIONE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1994-11-10 WO disclosed