SCHEMBL12344895

SCHEMBL12344895

C=S(=O)(c1ccccc1)n1cc(C(=O)OC)c2ccccc21

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 9/20 0.76
▸ MEN1 O00255 3/20 0.76
▸ NR4A2 P43354 3/20 0.56
▸ LMNA P02545 3/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ PLK1 P53350 1/20 0.54
▸ KDM4E B2RXH2 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ THRB P10828 1/20 0.53
▸ GAA P10253 1/20 0.50
▸ TSHR P16473 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ MAPT P10636 2/20 0.47
▸ POLB P06746 1/20 0.46
▸ AKR1C3 P42330 1/20 0.46
▸ AKR1C1 Q04828 1/20 0.46

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
SCHEMBL2886421 0.86 KMT2A (1.00) KMT2AMEN1NR4A2LMNASMN1; SMN2
SCHEMBL15557949 0.78 KMT2A (0.67) KMT2AMEN1NR4A2LMNASMN1; SMN2
SCHEMBL27958054 0.78 MEN1 (0.83) KMT2AMEN1NR4A2LMNASMN1; SMN2
SCHEMBL28207078 0.77 KMT2A (0.76) KMT2AMEN1NR4A2LMNASMN1; SMN2
SCHEMBL8600630 0.74 MEN1 (0.72) KMT2AMEN1NR4A2LMNASMN1; SMN2
SCHEMBL4784564 0.74 MEN1 (0.72) KMT2AMEN1LMNASMN1; SMN2PLK1
SCHEMBL17422835 0.73 KMT2A (0.73) KMT2AMEN1NR4A2LMNASMN1; SMN2
SCHEMBL2887226 0.73 MEN1 (0.73) KMT2AMEN1L3MBTL1POLB
SCHEMBL1092934 0.72 NR4A2 (1.00) KMT2AMEN1NR4A2LMNASMN1; SMN2
SCHEMBL31621504 0.72 NR4A2 (1.00) KMT2AMEN1NR4A2LMNASMN1; SMN2

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
EP-2035429-B1 FUSED [d]PYRIDAZIN-7-ONES CEPHALON INC (US) 2012-09-19 — — EP disclosed
WO-2007149557-A1 FUSED [d]PYRIDAZIN-7-ONES CEPHALON, INC. (US) 2007-12-27 — — WO disclosed
Send feedback