SCHEMBL5296166

SCHEMBL5296166

O=C(O)c1nc(-c2ccccc2)co1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 1/20 0.57
CES1 P23141 2/20 0.51
NR4A2 P43354 1/20 0.47
HSD11B1 P28845 2/20 0.45
ALDH1A1 P00352 2/20 0.43
PTPN1 P18031 1/20 0.43
SMO Q99835 2/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PDE10A Q9Y233 1/20 0.42
SCN9A Q15858 1/20 0.42
LDHA P00338 1/20 0.42
ENPP3 O14638 2/20 0.41
ENPP1 P22413 2/20 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
SCHEMBL27768494 0.89 DAGLA (0.57) DAGLACES1HSD11B1ALDH1A1SMO
SCHEMBL8119163 0.85 SCN9A (0.55) DAGLACES1HSD11B1ALDH1A1KDM4E
SCHEMBL28756282 0.84 MKNK1 (0.50) DAGLACES1ALDH1A1KDM4ELMNA
SCHEMBL3718120 0.82 ENPP3 (0.54) DAGLANR4A2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL9813483 0.79 CES1 (0.60) CES1ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL8552635 0.79 EDNRA (0.43) DAGLACES1HSD11B1ALDH1A1KDM4E
SCHEMBL8146467 0.77 CA2 (0.53)
SCHEMBL8147535 0.77 RXFP1 (0.47) DAGLAHSD11B1ALDH1A1KDM4ELMNA
SCHEMBL14564373 0.75 SCN9A (0.62) DAGLACES1ALDH1A1KDM4ESCN9A
SCHEMBL8149304 0.74 CA2 (0.55) SCN9A

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
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO disclosed
CN-1834091-A Sustituted Gly derivative for treating diabetes and adiposis SHENG ZELIN (CN) 2006-09-20 CN disclosed