SCHEMBL7828083

SCHEMBL7828083

CCOC(=O)C1Cc2ccc(N)cc2NC1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
GAA P10253 2/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
RAB9A P51151 1/20 0.44
LMNA P02545 2/20 0.42
TNF P01375 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA9 Q16790 1/20 0.40
TDP2 O95551 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
TP53 P04637 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37

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
SCHEMBL17049187 0.86 KDM4E (0.50) KMT2AMEN1KDM4EALDH1A1GAA
SCHEMBL17049229 0.85 TDP2 (0.49) KMT2AMEN1KDM4EALDH1A1GAA
SCHEMBL7817550 0.85 LMNA (0.53) KMT2AMEN1KDM4EALDH1A1GAA
SCHEMBL17049209 0.84 ALDH1A1 (0.48) KMT2AMEN1KDM4EALDH1A1GAA
SCHEMBL9835370 0.83 ALDH1A1 (0.47) KMT2AMEN1KDM4EALDH1A1GAA
SCHEMBL9834659 0.83 MAPT (0.47) KMT2AMEN1KDM4EALDH1A1GAA
SCHEMBL10361090 0.82 KDM4E (0.53) KMT2AMEN1KDM4EALDH1A1GAA
SCHEMBL16140165 0.79 TNF (0.41) KMT2AMEN1KDM4EALDH1A1GAA
SCHEMBL10319302 0.79 KDM4E (0.52) KMT2AMEN1KDM4EALDH1A1GAA
SCHEMBL7826445 0.78 CA9 (0.43) KMT2AMEN1KDM4EGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6329389-B1 HETEROCYCLIC AMINES AND DERIVATIVES, SOMATOSTATIN AND ANTIDIABETIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-12-11 US disclosed
EP-1070054-A1 AMINE COMPOUNDS, THEIR PRODUCTION AND THEIR USE AS SOMATOSTATIN RECEPTOR ANTAGONISTS OR AGONISTS Takeda Chemical Industries, Ltd. (JP) 2001-01-24 EP disclosed
WO-1999052875-A1 AMINE COMPOUNDS, THEIR PRODUCTION AND THEIR USE AS SOMATOSTATIN RECEPTOR ANTAGONISTS OR AGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-21 WO disclosed