SCHEMBL4789768

SCHEMBL4789768

CCCCOC(=O)C1NNc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.45
L3MBTL1 Q9Y468 4/20 0.45
TDP1 Q9NUW8 2/20 0.45
PPARG P37231 3/20 0.41
MAPK1 P28482 3/20 0.41
CYP3A4 P08684 2/20 0.41
TP53 P04637 1/20 0.41
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
HPGD P15428 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL6649442 0.77 TSHR (0.42) TSHRL3MBTL1TDP1PPARGMAPK1
SCHEMBL31536390 0.73 TSHR (0.43) TSHRL3MBTL1TDP1PPARGMAPK1
SCHEMBL700153 0.72 TSHR (0.55) TSHRL3MBTL1TDP1MEN1KMT2A
SCHEMBL3588372 0.70 ALDH1A1 (0.42) TSHRTDP1ALDH1A1MEN1KMT2A
SCHEMBL7370924 0.69 PPARG (0.42) TSHRL3MBTL1TDP1PPARGMAPK1
SCHEMBL13610184 0.69 CHRM2 (0.47) TSHRPPARGMAPK1CYP3A4TP53
SCHEMBL11341175 0.69 TSHR (0.39) TSHRL3MBTL1TDP1PPARGMAPK1
SCHEMBL27492109 0.69 GAA (0.54) TSHRL3MBTL1TDP1PPARGMAPK1
SCHEMBL877398 0.68 TSHR (0.53) TSHRL3MBTL1TDP1PPARGMAPK1
SCHEMBL13610179 0.68 CHRM2 (0.46) TSHRPPARGMAPK1CYP3A4TP53

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
WO-2008141385-A1 VIRAL POLYMERASE INHIBITORS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2008-11-27 WO disclosed