SCHEMBL27765485

SCHEMBL27765485

CC(=O)OC(C)(C)Cn1ccc([N+](=O)[O-])n1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
PKM P14618 2/20 0.46
LMNA P02545 3/20 0.44
MEN1 O00255 1/20 0.42
GAA P10253 3/20 0.42
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
RECQL P46063 1/20 0.40
CYP2D6 P10635 1/20 0.40
F2 P00734 2/20 0.40
PLAU P00749 2/20 0.40
KLKB1 P03952 2/20 0.40
ELANE P08246 2/20 0.40

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
SCHEMBL1080326 0.83 KMT2A (0.44) KMT2APKMLMNAMEN1GAA
SCHEMBL362137 0.80 KMT2A (0.49) KMT2APKMLMNAMEN1GAA
SCHEMBL1711707 0.78 KMT2A (0.41) KMT2APKMLMNAMEN1GAA
SCHEMBL27635826 0.77 ALDH1A1 (0.36) KMT2AMEN1GAAALDH1A1
SCHEMBL521187 0.77 PKM (0.53) KMT2APKMLMNAMEN1GAA
SCHEMBL12633753 0.75 KMT2A (0.64) KMT2APKMLMNAMEN1GAA
SCHEMBL1856233 0.75 ALDH1A1 (0.51) KMT2APKMLMNAMEN1GAA
SCHEMBL1026370 0.74 KMT2A (0.44) KMT2APKMLMNAMEN1GAA
SCHEMBL3375617 0.74 PKM (0.39) KMT2APKMLMNAMEN1GAA
SCHEMBL369546 0.74 PKM (0.39) KMT2APKMLMNAMEN1GAA

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
CN-101541756-A Pyrazoles as glucokinase activators HOFFMANN LA ROCHE (CH) 2009-09-23 CN disclosed