SCHEMBL9705713

SCHEMBL9705713

CCOC(=O)CC(=O)Nc1cc(F)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.55
▸ HTT P42858 1/20 0.51
▸ MAPT P10636 4/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ LMNA P02545 3/20 0.47
▸ GAA P10253 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ KMT2A Q03164 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ PKM P14618 2/20 0.45
▸ GALR2 O43603 1/20 0.45
▸ MITF O75030 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ HSP90AA1 P07900 1/20 0.45
▸ XBP1 P17861 1/20 0.45
▸ CCR6 P51684 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL2028324 0.85 L3MBTL1 (0.51) RECQLHTTMAPTALDH1A1LMNA
SCHEMBL9704241 0.85 MAPT (0.57) RECQLMAPTALDH1A1LMNAGAA
SCHEMBL8190013 0.83 LMNA (0.64) RECQLHTTMAPTALDH1A1LMNA
SCHEMBL11445790 0.81 TSHR (0.52) RECQLHTTMAPTALDH1A1LMNA
SCHEMBL11435301 0.81 ALDH1A1 (0.54) RECQLHTTMAPTALDH1A1LMNA
SCHEMBL31554429 0.80 MEN1 (0.52) MAPTALDH1A1LMNAGAAKMT2A
SCHEMBL11257676 0.80 RECQL (0.51) RECQLHTTMAPTALDH1A1LMNA
SCHEMBL11446316 0.80 L3MBTL1 (0.51) RECQLHTTMAPTALDH1A1LMNA
SCHEMBL3706025 0.80 L3MBTL1 (0.69) RECQLHTTMAPTALDH1A1LMNA
SCHEMBL30623198 0.80 PKM (0.67) RECQLHTTMAPTALDH1A1LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992011245-A1 2-ACYLAMIDO DERIVATIVES OF 3,4-DIHYDRO-3-OXO-QUINOXALINE HAVING PHARMACEUTICAL ACTIVITY WARNER-LAMBERT COMPANY (US) 1992-07-09 — — WO disclosed
Send feedback