SCHEMBL7198575

SCHEMBL7198575

COC(=O)c1ccc(N(Cc2ccccc2)c2ccccc2NCc2cccc([N+](=O)[O-])c2)cc1C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.46
MAPT P10636 6/20 0.46
KMT2A Q03164 6/20 0.46
ALDH1A1 P00352 5/20 0.46
GAA P10253 3/20 0.46
CRHBP P24387 3/20 0.46
CRHR2 Q13324 3/20 0.46
HTT P42858 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP2D6 P10635 3/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 3/20 0.43
RECQL P46063 1/20 0.43
CYP1A2 P05177 2/20 0.42
AKR1B1 P15121 2/20 0.41
CYP3A4 P08684 1/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL7198582 0.90 AR (0.46) MEN1MAPTKMT2AALDH1A1GAA
SCHEMBL6933335 0.87 MEN1 (0.50) MEN1MAPTKMT2AALDH1A1GAA
SCHEMBL7119414 0.81 AR (0.51) MEN1MAPTKMT2AALDH1A1L3MBTL1
SCHEMBL6933340 0.76 PYGL (0.50) MEN1MAPTKMT2AALDH1A1HTT
SCHEMBL6431578 0.76 PYGL (0.53) MEN1MAPTKMT2AALDH1A1GAA
SCHEMBL6933328 0.75 PYGL (0.57) MEN1MAPTKMT2AALDH1A1
SCHEMBL7123016 0.75 ALDH1A1 (0.44) MEN1MAPTKMT2AALDH1A1GAA
SCHEMBL12950801 0.69 CRHBP (0.51) MEN1KMT2AALDH1A1CRHBPCRHR2
SCHEMBL7119418 0.69 AR (0.49) MEN1MAPTKMT2AALDH1A1GAA
SCHEMBL6433721 0.68 SLC6A4 (0.57) MEN1MAPTKMT2AALDH1A1GAA

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
US-6590118-B1 Used in treatment of and/or prevention of diabetes, especially non-insulin dependent diabetes (Type 2 diabetes) NOVO NORDISK A/S (DK) 2003-07-08 US disclosed