SCHEMBL7818698

SCHEMBL7818698

CCOC(=O)C(=Cc1cc(Cl)ccc1[N+](=O)[O-])C(=O)OCC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
PSMD14 O00487 1/20 0.50
HPGD P15428 1/20 0.50
BLM P54132 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GLO1 Q04760 1/20 0.50
LMNA P02545 2/20 0.47
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
BACE1 P56817 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PLIN1 O60240 1/20 0.46
POLB P06746 1/20 0.46
PLIN5 Q00G26 1/20 0.46
ABHD5 Q8WTS1 1/20 0.46
FBP1 P09467 1/20 0.46

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
SCHEMBL7828149 0.91 MAPT (0.49) MAPTMEN1KMT2APSMD14HPGD
SCHEMBL7882400 0.90 KMT2A (0.48) MAPTMEN1KMT2APSMD14HPGD
Potassium Ion SCHEMBL7817917 0.90 MAPT (0.48) MAPTMEN1KMT2APSMD14HPGD
SCHEMBL7817919 0.90 MAPT (0.48) MAPTMEN1KMT2APSMD14HPGD
SCHEMBL6580174 0.85 MEN1 (0.51) MAPTMEN1KMT2AHPGDSMN1; SMN2
SCHEMBL24003040 0.84 MAPT (0.56) MAPTMEN1KMT2AHPGDSMN1; SMN2
SCHEMBL30305181 0.84 MAPT (0.56) MAPTMEN1KMT2AHPGDSMN1; SMN2
SCHEMBL7833052 0.83 MAPT (0.64) MAPTMEN1KMT2ASMN1; SMN2GLO1
SCHEMBL31462613 0.82 MEN1 (0.51) MAPTMEN1KMT2AHPGDSMN1; SMN2
SCHEMBL31462786 0.81 MEN1 (0.54) MAPTMEN1KMT2AHPGDSMN1; SMN2

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