SCHEMBL28615895

SCHEMBL28615895

CCCCOC(=O)N1CCN(c2cnc(N)nc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.48
LMNA P02545 3/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 6/20 0.46
KDM4E B2RXH2 3/20 0.46
GAA P10253 2/20 0.46
HRH2 P25021 3/20 0.45
HRH1 P35367 3/20 0.45
HTT P42858 2/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 5/20 0.42
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ME2 P23368 1/20 0.41
ME1 P48163 1/20 0.41
ME3 Q16798 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 1/20 0.40

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
SCHEMBL27694790 0.86 MAPT (0.49) SMN1; SMN2LMNAPOLBMAPTKDM4E
Hydrochloric Acid SCHEMBL31540771 0.81 MAPT (0.57) SMN1; SMN2LMNAPOLBMAPTKDM4E
SCHEMBL899615 0.80 MAPT (0.48) SMN1; SMN2LMNAPOLBMAPTKDM4E
SCHEMBL29742069 0.80 SMN1; SMN2 (0.47) SMN1; SMN2LMNAPOLBMAPTKDM4E
SCHEMBL29742023 0.79 SMN1; SMN2 (0.55) SMN1; SMN2LMNAPOLBKDM4EHRH2
SCHEMBL30263282 0.79 HRH3 (0.54) SMN1; SMN2LMNAPOLBMAPTKDM4E
SCHEMBL1459682 0.79 MAPT (0.57) SMN1; SMN2LMNAPOLBMAPTKDM4E
SCHEMBL15569212 0.79 MAPT (0.50) SMN1; SMN2LMNAPOLBMAPTKDM4E
SCHEMBL29742046 0.78 MAPT (0.58) SMN1; SMN2LMNAPOLBMAPTKDM4E
SCHEMBL5358158 0.78 MAPT (0.53) SMN1; SMN2LMNAPOLBMAPTKDM4E

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
CN-108779117-B Kinase inhibitor 重庆复创医药研究有限公司 2021-08-31 CN disclosed