SCHEMBL12810488

SCHEMBL12810488

Cc1cccc([S@](C)(=N)=O)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.46
ACHE P22303 2/20 0.46
ALDH1A1 P00352 3/20 0.44
FBP1 P09467 7/20 0.42
KAT6A Q92794 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 1/20 0.42
MMP2 P08253 1/20 0.42
EDNRA P25101 1/20 0.41
IDO1 P14902 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 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
SCHEMBL1706770 1.00 KMT2A (0.53) KMT2AMEN1ACHEALDH1A1FBP1
SCHEMBL12808 0.82 KMT2A (0.57) KMT2AMEN1ACHEALDH1A1FBP1
SCHEMBL24517491 0.81 KMT2A (0.52) KMT2AMEN1ACHEALDH1A1FBP1
SCHEMBL1299476 0.80 KMT2A (0.55) KMT2AMEN1ACHEALDH1A1FBP1
SCHEMBL822302 0.79 KMT2A (0.59) KMT2AMEN1ACHEALDH1A1FBP1
SCHEMBL29468572 0.79 KMT2A (0.59) KMT2AMEN1ACHEALDH1A1FBP1
SCHEMBL1706810 0.79 KMT2A (0.55) KMT2AMEN1ACHEALDH1A1FBP1
SCHEMBL18445871 0.78 HSD17B1 (0.49) ACHEALDH1A1MMP2LMNA
SCHEMBL8264434 0.78 KMT2A (0.53) KMT2AMEN1ACHEALDH1A1FBP1
SCHEMBL18402627 0.78 KMT2A (0.49) KMT2AMEN1ACHEALDH1A1FBP1

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-2046758-B1 SUBSTITUTED SULPHOXIMINES AS TIE2 INHIBITORS AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER SCHERING PHARMA AG (DE) 2011-03-16 EP disclosed