SCHEMBL9705730

SCHEMBL9705730

CCOC(=O)/C(=N\O)C(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
PKM P14618 1/20 0.50
MAPT P10636 6/20 0.48
THRB P10828 1/20 0.48
KCNMA1 Q12791 1/20 0.48
MAPK1 P28482 3/20 0.47
ALDH1A1 P00352 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C19 P33261 2/20 0.47
LMNA P02545 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
STAT3 P40763 1/20 0.47
GAA P10253 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GPR35 Q9HC97 1/20 0.46
NPC1 O15118 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
SCHEMBL9705734 1.00 KMT2A (0.50) KMT2AMEN1PKMMAPTTHRB
SCHEMBL7976022 0.89 GPR35 (0.57) KMT2AMEN1PKMMAPTTHRB
SCHEMBL9704079 0.86 KMT2A (0.48) KMT2AMEN1PKMMAPTKCNMA1
SCHEMBL9704072 0.86 KMT2A (0.48) KMT2AMEN1PKMMAPTKCNMA1
SCHEMBL9704228 0.84 MAPT (0.53) KMT2APKMMAPTKCNMA1MAPK1
SCHEMBL9704235 0.84 MAPT (0.53) KMT2APKMMAPTKCNMA1MAPK1
SCHEMBL9364671 0.80 GPR35 (0.60) KMT2AMEN1PKMMAPTTHRB
SCHEMBL9364653 0.80 KCNMA1 (0.58) KMT2AMEN1PKMMAPTTHRB
SCHEMBL9703998 0.78 MAPK1 (0.59) KMT2AMEN1PKMMAPTTHRB
SCHEMBL9704003 0.78 MAPK1 (0.59) KMT2AMEN1PKMMAPTTHRB

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