SCHEMBL17655487

SCHEMBL17655487

CC1=CCNC(N2CCOCC2)=C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
HTT P42858 4/20 0.38
TP53 P04637 2/20 0.38
STAT3 P40763 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 5/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 3/20 0.37
HSD17B10 Q99714 3/20 0.37
KDM4E B2RXH2 2/20 0.37
ALOX15 P16050 2/20 0.37
USP2 O75604 1/20 0.37
MAPK1 P28482 1/20 0.37
LRRK2 Q5S007 1/20 0.35
LMNA P02545 2/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
TSHR P16473 1/20 0.32
PRKDC P78527 2/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL17734089 0.67 ALDH1A1 (0.36) MAPTHTTTP53KMT2AALDH1A1
SCHEMBL19027031 0.63 MAPT (0.35) MAPTHTTSMN1; SMN2KMT2AMEN1
SCHEMBL19027124 0.63 GAA (0.40) MAPTSMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL13660100 0.62
SCHEMBL19027034 0.62 GAA (0.33) MAPTHTTTP53KMT2AMEN1
SCHEMBL18951743 0.61 ALDH1A1 (0.31) SMN1; SMN2ALDH1A1KDM4ELMNATSHR
SCHEMBL13659889 0.59
SCHEMBL22892883 0.59
SCHEMBL21850711 0.58 MAPT (0.38) MAPTHTTTP53STAT3SMN1; SMN2
SCHEMBL82183 0.58 MAPT (0.67) MAPTHTTTP53SMN1; SMN2KMT2A

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-2315763-B1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-06-01 EP disclosed
EP-2493888-B1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-04-06 EP disclosed