SCHEMBL5817859

SCHEMBL5817859

CCOC(=O)CC(=O)C=NNc1ccc(Cl)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
ALDH1A1 P00352 2/20 0.49
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HPGD P15428 2/20 0.47
RAB9A P51151 1/20 0.45
USP2 O75604 1/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 1/20 0.41
ABCB1 P08183 1/20 0.40
GAA P10253 2/20 0.39
ATM Q13315 1/20 0.39
KDM4E B2RXH2 2/20 0.39

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
SCHEMBL30720830 0.86 MAPT (0.58) MAPTALDH1A1TDP1MEN1KMT2A
SCHEMBL13875566 0.86 MAPT (0.58) MAPTALDH1A1TDP1MEN1KMT2A
SCHEMBL10836433 0.80 MAPT (0.45) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL10836424 0.80 MAPT (0.45) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL28382652 0.76 NPC1 (0.46) MAPTALDH1A1TDP1MEN1KMT2A
SCHEMBL28382648 0.76 NPC1 (0.46) MAPTALDH1A1TDP1MEN1KMT2A
SCHEMBL7494202 0.76 GAA (0.49) MAPTALDH1A1TDP1MEN1KMT2A
SCHEMBL10631063 0.76 HPGD (0.72) MAPTALDH1A1TDP1MEN1KMT2A
SCHEMBL31757610 0.75 KDM4E (0.51) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL31757608 0.75 KDM4E (0.51) MAPTALDH1A1MEN1KMT2AHPGD

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-2006030285-A1 NEW 1,2,4-TRIAZOLE-3-CARBOXAMIDE DERIVATIVES LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-03-23 WO disclosed