SCHEMBL8700809

SCHEMBL8700809

O=C(O)[C@H]1N[C@H]1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
CHRNA7 P36544 1/20 0.42
EDNRA P25101 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GBA1 P04062 1/20 0.39
AKR1C3 P42330 1/20 0.38
AKR1C1 Q04828 1/20 0.38
GAA P10253 2/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36

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
SCHEMBL6769452 1.00 SMN1; SMN2 (0.47) SMN1; SMN2CHRNA7EDNRAMEN1KMT2A
SCHEMBL7385475 1.00 SMN1; SMN2 (0.47) SMN1; SMN2CHRNA7EDNRAMEN1KMT2A
SCHEMBL29543300 1.00 SMN1; SMN2 (0.47) SMN1; SMN2CHRNA7EDNRAMEN1KMT2A
SCHEMBL6769226 1.00 SMN1; SMN2 (0.47) SMN1; SMN2CHRNA7EDNRAMEN1KMT2A
SCHEMBL25896590 0.83 CHRNA7 (0.44) SMN1; SMN2CHRNA7MEN1KMT2AGBA1
SCHEMBL25896584 0.83 CHRNA7 (0.44) SMN1; SMN2CHRNA7MEN1KMT2AGBA1
SCHEMBL10941517 0.83 SMN1; SMN2 (0.44) SMN1; SMN2CHRNA7EDNRAMEN1KMT2A
SCHEMBL14574441 0.83 CHRNA7 (0.44) SMN1; SMN2CHRNA7MEN1KMT2AGBA1
SCHEMBL29299870 0.78 MEN1 (0.41) SMN1; SMN2CHRNA7MEN1KMT2AGBA1
SCHEMBL6739703 0.78 SMN1; SMN2 (0.51) SMN1; SMN2GAALMNAALDH1A1

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-5789599-A Aziridine compounds, methods of preparation and reactions thereof DREXEL UNIVERSITY (US) 1998-08-04 US disclosed