SCHEMBL10900620

SCHEMBL10900620

CN(CCOC(=O)CC(=N)N)Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.59
ALDH1A1 P00352 2/20 0.55
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
PKM P14618 1/20 0.48
RECQL P46063 1/20 0.48
CACNA1B Q00975 1/20 0.48
APBA1 Q02410 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ATM Q13315 1/20 0.48
TSHR P16473 1/20 0.48
CARM1 Q86X55 1/20 0.46
PRMT6 Q96LA8 1/20 0.46
PRMT8 Q9NR22 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL3855356 0.85 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1POLBGAAMAPT
SCHEMBL3345807 0.83 SMN1; SMN2 (0.68) SMN1; SMN2ALDH1A1POLBGAAMAPT
SCHEMBL16088846 0.81 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1POLBGAAMAPT
SCHEMBL11194393 0.80 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1POLBGAAMAPT
SCHEMBL1665202 0.78 SMN1; SMN2 (0.70) SMN1; SMN2ALDH1A1POLBGAAMAPT
SCHEMBL16090030 0.78 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1POLBGAAMAPT
SCHEMBL16088845 0.78 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1POLBGAAMAPT
SCHEMBL10386875 0.77 SMN1; SMN2 (0.68) SMN1; SMN2ALDH1A1POLBGAAMAPT
SCHEMBL11846412 0.77 L3MBTL1 (0.54) SMN1; SMN2ALDH1A1MAPTL3MBTL1ATM
SCHEMBL16088843 0.77 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1L3MBTL1ATMTSHR

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-4622332-A Asymmetric diesters of Hantzsch dihydropyridines with hypotensive activity BAYER AKTIENGESELLSCHAFT (DE) 1986-11-11 US disclosed