SCHEMBL9808548

SCHEMBL9808548

CCOC(=O)c1cn[c][nH]c1=O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
ALDH1A1 P00352 5/20 0.47
MAPT P10636 4/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 6/20 0.47
TSHR P16473 1/20 0.44
GAA P10253 4/20 0.44
POLB P06746 2/20 0.44
NPC1 O15118 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPK1 P28482 1/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 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
SCHEMBL7412642 0.78 KMT2A (0.42) KMT2AMEN1ALDH1A1MAPTL3MBTL1
SCHEMBL1014580 0.72 KDM4E (0.58) KMT2AMEN1ALDH1A1MAPTL3MBTL1
SCHEMBL798009 0.72 MEN1 (0.50) KMT2AMEN1ALDH1A1MAPTL3MBTL1
SCHEMBL10406368 0.71 KMT2A (0.49) KMT2AMEN1ALDH1A1MAPTL3MBTL1
SCHEMBL16447196 0.71 TSHR (0.44) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL19744027 0.70 TSHR (0.47) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL7997265 0.70 KDM4E (0.55) KMT2AMEN1ALDH1A1MAPTL3MBTL1
SCHEMBL2902593 0.70 ALDH1A1 (0.66) KMT2AMEN1ALDH1A1MAPTL3MBTL1
SCHEMBL18585976 0.70 ALDH1A1 (0.59) KMT2AMEN1ALDH1A1MAPTL3MBTL1
SCHEMBL17146906 0.69 TSHR (0.59) KMT2AMEN1ALDH1A1MAPTL3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4956369-A HYPOTENSIVE AGENTS BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) 1990-09-11 US claimed
US-5021436-A Antiulcer, anticoagulant, antiischaemic agent BOEHRINGER MANNHEIM ITALIA, S.P.A. (IT) 1991-06-04 US disclosed
US-4999362-A Hypotensive, Antiulcer, Cytoprotective, Antithrombotic Agents BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) 1991-03-12 US disclosed