SCHEMBL8848975

SCHEMBL8848975

COc1ccc(C=NNC(C)=O)cc1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.70
MPO P05164 2/20 0.67
MAPT P10636 7/20 0.64
GAA P10253 3/20 0.64
ALDH1A1 P00352 2/20 0.64
DNM1 Q05193 1/20 0.64
HTT P42858 1/20 0.64
GFER P55789 1/20 0.64
CYP1A2 P05177 2/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
POLB P06746 3/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.60
LMNA P02545 2/20 0.59
MGAM O43451 1/20 0.59
SI P14410 1/20 0.59
MGAM2 Q2M2H8 1/20 0.59

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
SCHEMBL19392271 0.87 SMN1; SMN2 (0.73) SMN1; SMN2MPOMAPTGAAALDH1A1
SCHEMBL19449697 0.84 MAPT (0.64) SMN1; SMN2MPOMAPTGAAALDH1A1
SCHEMBL14119584 0.82 MPO (0.74) SMN1; SMN2MPOMAPTGAAALDH1A1
SCHEMBL28906622 0.82 MAPT (0.78) SMN1; SMN2MPOMAPTGAAALDH1A1
SCHEMBL14119583 0.82 MPO (0.74) SMN1; SMN2MPOMAPTGAAALDH1A1
Hydrochloric Acid SCHEMBL17560998 0.82 MAPT (0.62) SMN1; SMN2MPOMAPTGAAALDH1A1
SCHEMBL19936630 0.81 MAPT (0.70) SMN1; SMN2MPOMAPTGAAALDH1A1
SCHEMBL7947641 0.81 DNM1 (0.77) SMN1; SMN2MPOMAPTGAAALDH1A1
SCHEMBL14119299 0.81 DNM1 (0.77) SMN1; SMN2MPOMAPTGAAALDH1A1
SCHEMBL29497449 0.81 DNM1 (0.77) SMN1; SMN2MPOMAPTGAAALDH1A1

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
EP-0764685-A2 Polymer solutions COURTAULDS FIBRES (HOLDINGS) LIMITED (GB) 1997-03-26 EP disclosed