SCHEMBL6189525

SCHEMBL6189525

CC(C)(C)OC(=O)NCCc1ccc(C(=O)c2cc(Cl)ccc2N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
LMNA P02545 2/20 0.45
NAMPT P43490 1/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
DNMT3A Q9Y6K1 1/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
IDO1 P14902 2/20 0.43
PPARG P37231 2/20 0.43
PPARA Q07869 2/20 0.43
FABP2 P12104 1/20 0.43
PPARD Q03181 1/20 0.43
NLRP3 Q96P20 2/20 0.42
HPGD P15428 2/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
SCHEMBL6192699 0.89 KDM4E (0.47) CA2LMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL6191669 0.89 GAA (0.50) LMNANAMPTSMN1; SMN2PPARGPPARA
SCHEMBL6189844 0.83 RECQL (0.48) LMNAKDM4EALDH1A1SMN1; SMN2PKM
SCHEMBL6190237 0.80 GAA (0.43) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6677541 0.79 CA2 (0.49) CA1CA2LMNANAMPTKDM4E
SCHEMBL6188262 0.79 CA2 (0.44) CA1CA2LMNANAMPTKDM4E
SCHEMBL8199082 0.77 NQO2 (0.44) LMNATSHRIDO1MEN1KMT2A
SCHEMBL14431419 0.77 CA2 (0.52) CA1CA2LMNANAMPTIDO1
SCHEMBL3658450 0.77 ALDH1A1 (0.55) LMNAKDM4EALDH1A1SMN1; SMN2PKM
SCHEMBL30313133 0.77 ALDH1A1 (0.55) LMNAKDM4EALDH1A1SMN1; SMN2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0979227-B1 4,1-BENZOXAZEPINES, THEIR ANALOGUES, AND THEIR USE AS SOMATOSTATIN AGONISTS TAKEDA PHARMACEUTICAL (JP) 2005-11-16 EP disclosed
US-6352982-B1 TREATING DIABETES, OBESITY, OR INVETERATE DIARRHEA IN A MAMMAL WHICH COMPRISES ADMINISTERING AN EFFECTIVE AMOUNT OF A COMPOUND OF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-03-05 US disclosed