SCHEMBL17069352

SCHEMBL17069352

CN1/C(=C2/SC(=S)N(CCO)C2=O)Sc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 16/20 0.62
▸ MEN1 O00255 15/20 0.62
▸ POLB P06746 6/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ MAPT P10636 7/20 0.54
▸ MMP13 P45452 2/20 0.54
▸ MAPK1 P28482 2/20 0.53
▸ ALDH1A1 P00352 3/20 0.51
▸ OPRK1 P41145 1/20 0.51
▸ ALOX15 P16050 2/20 0.50
▸ ALOX12 P18054 2/20 0.50
▸ CASP1 P29466 2/20 0.50
▸ CASP7 P55210 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ HPGD P15428 1/20 0.50
▸ CTDSP1 Q9GZU7 3/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ DUSP3 P51452 1/20 0.45

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
SCHEMBL2333246 0.87 MEN1 (0.81) KMT2AMEN1POLBSMN1; SMN2MAPT
SCHEMBL15995453 0.87 MEN1 (0.81) KMT2AMEN1POLBSMN1; SMN2MAPT
SCHEMBL2333243 0.87 MEN1 (0.81) KMT2AMEN1POLBSMN1; SMN2MAPT
SCHEMBL9054683 0.87 MEN1 (0.60) KMT2AMEN1POLBSMN1; SMN2MAPT
SCHEMBL9054686 0.87 MEN1 (0.60) KMT2AMEN1POLBSMN1; SMN2MAPT
SCHEMBL9651276 0.86 MEN1 (0.67) KMT2AMEN1POLBSMN1; SMN2MAPT
SCHEMBL9651283 0.86 MEN1 (0.67) KMT2AMEN1POLBSMN1; SMN2MAPT
SCHEMBL8606927 0.85 MEN1 (0.61) KMT2AMEN1POLBSMN1; SMN2MAPT
SCHEMBL8606929 0.85 MEN1 (0.61) KMT2AMEN1POLBSMN1; SMN2MAPT
SCHEMBL2338597 0.84 KMT2A (0.77) KMT2AMEN1POLBSMN1; SMN2MAPT

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
US-20150252235-A1 UV-CURABLE SILICONE ADHESIVE COMPOSITIONS 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-09-10 — — US disclosed
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