SCHEMBL990247

SCHEMBL990247

CCOC(=O)C(C#N)=C1CCN(C)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.62
MEN1 O00255 4/20 0.62
MAPT P10636 7/20 0.50
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 11/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
HPGD P15428 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
TSHR P16473 1/20 0.42
RAB9A P51151 5/20 0.41
MAPK1 P28482 3/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 3/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 2/20 0.38
USP2 O75604 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38

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
SCHEMBL2330634 0.85 MEN1 (0.63) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL16554034 0.84 KMT2A (0.58) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL3634417 0.83 MEN1 (0.57) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL625332 0.83 MEN1 (0.57) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL362584 0.82 MEN1 (0.56) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL14626678 0.82 MEN1 (0.56) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL13310876 0.82 MEN1 (0.56) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL25057561 0.81 KMT2A (0.54) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL20995023 0.80 MEN1 (0.57) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL5370952 0.79 KMT2A (0.53) KMT2AMEN1MAPTKDM4EALDH1A1

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-4567265-A REACTING 2-NITROPROPANE WITH UNSATURATED CYANOESTER LOYOLA UNIVERSITY OF CHICAGO (US) 1986-01-28 US claimed
EP-2268647-A2 COMPOUNDS AND COMPOSITIONS FOR THE DETECTION AND TREATMENT OF ALZHEIMER'S DISEASE AND RELATED DISORDERS The General Hospital Corporation (US) 2011-01-05 EP disclosed
US-4567265-A REACTING 2-NITROPROPANE WITH UNSATURATED CYANOESTER LOYOLA UNIVERSITY OF CHICAGO (US) 1986-01-28 US disclosed