SCHEMBL7829263

SCHEMBL7829263

COC(=O)CCc1nc(-c2cc3ccccc3o2)no1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.46
PSMB5 P28074 1/20 0.44
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 2/20 0.43
ATM Q13315 1/20 0.43
GAA P10253 3/20 0.42
MAPT P10636 2/20 0.42
THRB P10828 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 2/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PKM P14618 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL7837657 0.85 ALDH1A1 (0.53) HPGDPSMB5ALDH1A1KMT2ALMNA
SCHEMBL7818703 0.81 ALDH1A1 (0.64) HPGDPSMB5ALDH1A1KMT2ALMNA
SCHEMBL7829318 0.80 PSMB5 (0.46) HPGDPSMB5ALDH1A1KMT2AGAA
SCHEMBL4564362 0.79 HPGD (0.68) HPGDALDH1A1KMT2ALMNAATM
SCHEMBL7944909 0.75 LMNA (0.64) HPGDALDH1A1LMNAATMMAPT
SCHEMBL7829269 0.74 HPGD (0.46) HPGDALDH1A1KMT2ALMNAATM
SCHEMBL6326392 0.74 MAPK1 (0.54) HPGDALDH1A1KMT2ALMNAATM
SCHEMBL5294261 0.74 ADAM17 (0.69) HPGDALDH1A1KMT2ALMNAATM
SCHEMBL6323754 0.73 HTT (0.67) HPGDALDH1A1KMT2ALMNAATM
SCHEMBL6333033 0.73 LMNA (0.61) HPGDALDH1A1LMNAATMMAPT

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