SCHEMBL10433136

SCHEMBL10433136

Cn1cc(-c2ccccc2)c(C(=O)NCCN(C(=O)O)C(C)(C)C)n1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 1/20 0.39
HCRTR1 O43613 7/20 0.38
HCRTR2 O43614 3/20 0.38
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
JMJD6 Q6NYC1 1/20 0.36
EGLN1 Q9GZT9 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA2 P47869 1/20 0.35

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
SCHEMBL10432660 0.90 CSNK1D (0.39) HCRTR1
SCHEMBL10432570 0.89 HCRTR1 (0.41) HCRTR1TP53EGLN1
SCHEMBL9586423 0.81 L3MBTL1 (0.41) HCRTR1HCRTR2SMN1; SMN2JMJD6EGLN1
Hydrochloric Acid SCHEMBL9586782 0.79 PMP22 (0.41) HCRTR1HCRTR2SMN1; SMN2JMJD6EGLN1
SCHEMBL10432627 0.79 WNT1 (0.37) SMN1; SMN2GABRG2GABRB3GABRA2
SCHEMBL10432521 0.79 GABRG2 (0.36) KDM5BGABRG2GABRB3GABRA2
SCHEMBL10433107 0.77 L3MBTL1 (0.38) HCRTR1HCRTR2SMN1; SMN2JMJD6L3MBTL1
SCHEMBL10432601 0.74 KDM4E (0.49) HCRTR2
SCHEMBL10432730 0.73 HDAC3 (0.43) TP53SMN1; SMN2
SCHEMBL10432788 0.72 CDC25A (0.38) GABRG2GABRB3GABRA2

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
EP-0352581-A2 Ethylene diaminmonoamide derivatives F. HOFFMANN-LA ROCHE AG (CH) 1990-01-31 EP disclosed