SCHEMBL6534016

SCHEMBL6534016

Cn1cc(C(=O)NOCCO)ccc1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 5/20 0.47
MAP2K2 P36507 1/20 0.47
CREBBP Q92793 1/20 0.45
KMT2A Q03164 5/20 0.43
MEN1 O00255 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 3/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
ACSS2 Q9NR19 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MITF O75030 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL28821080 0.80 KMT2A (0.51) MAP2K1CREBBPKMT2AMEN1SMN1; SMN2
SCHEMBL2896747 0.79 CREBBP (0.52) CREBBPKMT2AMEN1SMN1; SMN2HTT
SCHEMBL9704727 0.79 KMT2A (0.56) KMT2AALDH1A1KDM4ELMNAMAPT
SCHEMBL29435808 0.77 MAP2K1 (0.46) MAP2K1MAP2K2KMT2A
SCHEMBL6533268 0.77 LMNA (0.48) MAP2K1MAP2K2CREBBPKMT2AMEN1
SCHEMBL28821084 0.76 CREBBP (0.47) CREBBPKMT2AMEN1SMN1; SMN2HTT
SCHEMBL13702366 0.74 BRD4 (0.54) CREBBPKMT2AMEN1SMN1; SMN2HTT
SCHEMBL13702157 0.73 CREBBP (0.50) CREBBPKMT2AMEN1SMN1; SMN2HTT
SCHEMBL15224261 0.73 CREBBP (0.50) CREBBPKMT2AMEN1SMN1; SMN2HTT
SCHEMBL22479631 0.73 CREBBP (0.52) MAP2K1MAP2K2CREBBPKMT2AMEN1

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-2005000818-A1 5-SUBSTITUTED-4-`(SUBSTITUTED PHENYL)!AMINO!-2-PYRIDONE DEVIATIVES FOR USE AS MEK INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2005-01-06 WO disclosed