SCHEMBL6544579

SCHEMBL6544579

NC1C(=O)NNC1c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
GAA P10253 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 3/20 0.38
LMNA P02545 2/20 0.38
CYP3A4 P08684 2/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
HTR2B P41595 1/20 0.38
CA2 P00918 2/20 0.36
MAOA P21397 6/20 0.34
MAOB P27338 6/20 0.34
KDM1A O60341 4/20 0.34
CYP2C19 P33261 4/20 0.34
CYP2B6 P20813 3/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34

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
SCHEMBL9511228 0.79 SMN1; SMN2 (0.45) MAPTGAASMN1; SMN2MEN1KMT2A
SCHEMBL8846878 0.78 SMN1; SMN2 (0.53) MAPTGAASMN1; SMN2ALDH1A1MEN1
SCHEMBL8846872 0.78 SMN1; SMN2 (0.53) MAPTGAASMN1; SMN2ALDH1A1MEN1
SCHEMBL6555228 0.78 SMN1; SMN2 (0.53) MAPTGAASMN1; SMN2ALDH1A1MEN1
Hydrochloric Acid SCHEMBL8993466 0.76 SMN1; SMN2 (0.52) MAPTGAASMN1; SMN2ALDH1A1MEN1
SCHEMBL8993492 0.72 MEN1 (0.59) MAPTGAASMN1; SMN2ALDH1A1MEN1
SCHEMBL7883065 0.69 MAPT (0.52) MAPTGAASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL8993589 0.67 SLC6A3 (0.51) MAPTGAASMN1; SMN2ALDH1A1TP53
SCHEMBL8993511 0.67 SLC6A2 (0.45) MAPTGAASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL18819384 0.66 SMN1; SMN2 (0.48) SMN1; SMN2MEN1KMT2ACYP1A2LMNA

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-1222856-B1 PLANT DISEASE CONTROLLING COMPOSITIONS AND PLANT DISEASE CONTROLLING METHOD SUMITOMO CHEMICAL CO (JP) 2004-01-07 EP disclosed