SCHEMBL28538342

SCHEMBL28538342

C=CCOc1cc(C(=O)NN)ccc1-c1ccc(C(=O)NN)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 2/20 0.45
MAPK14 Q16539 1/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
LIG1 P18858 1/20 0.42
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EGFR P00533 2/20 0.40
MPO P05164 1/20 0.39
CYP3A4 P08684 1/20 0.39
KDM5A P29375 1/20 0.39
BLM P54132 1/20 0.39
GFER P55789 1/20 0.39
PMP22 Q01453 1/20 0.39
HIF1A Q16665 1/20 0.39

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
SCHEMBL7321165 0.79 MAPT (0.58) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL9557088 0.78 EGFR (0.53) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL2953979 0.75 S1PR1 (0.47) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL9268891 0.75 EGFR (0.47) NPC1RAB9AKDM4EALDH1A1L3MBTL1
SCHEMBL22568236 0.74 LIG1 (0.52) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL22568235 0.74 LIG1 (0.46) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL22568234 0.73 LIG1 (0.51) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL28961149 0.73 CYP19A1 (0.40) MAPTALDH1A1GAATSHRSMN1; SMN2
SCHEMBL22568237 0.72 LIG1 (0.50) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL22558296 0.71 LIG1 (0.51) MAPTNPC1RAB9AKDM4EALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112490510-A Button battery and preparation method thereof 广东微电新能源有限公司 2021-03-12 CN claimed
CN-112490510-A Button battery and preparation method thereof 广东微电新能源有限公司 2021-03-12 CN disclosed