SCHEMBL29612526

SCHEMBL29612526

O=[N+]([O-])c1ccc(Br)cc1NC1(CO)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 5/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 3/20 0.34
GAA P10253 2/20 0.34
GRK6 P43250 2/20 0.34
MEN1 O00255 2/20 0.34
GLA P06280 1/20 0.34
S100A4 P26447 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
KAT2B Q92831 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 1/20 0.34
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33

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
SCHEMBL28730679 1.00 MAPK1 (0.40) MAPK1PKMRAB9AKDM4EMAPT
SCHEMBL29612473 0.78 MAPT (0.39) MAPK1PKMRAB9AKDM4EMAPT
SCHEMBL23042411 0.78 MAPT (0.39) MAPK1PKMRAB9AKDM4EMAPT
SCHEMBL28730678 0.76 MAPK1 (0.36) MAPK1PKMRAB9AKDM4EMAPT
SCHEMBL25877480 0.76 MAPT (0.38) MAPK1PKMRAB9AKDM4EMAPT
SCHEMBL29612465 0.76 MAPK1 (0.36) MAPK1PKMRAB9AKDM4EMAPT
SCHEMBL23042586 0.75 MAPK1 (0.35) MAPK1PKMRAB9AKDM4EMAPT
SCHEMBL29612887 0.75 MAPK1 (0.35) MAPK1PKMRAB9AKDM4EMAPT
SCHEMBL1515031 0.74 ALDH1A1 (0.57) RAB9AMAPTALDH1A1KAT2B
SCHEMBL29612519 0.74 ALDH1A1 (0.57) RAB9AMAPTALDH1A1KAT2B

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-114430743-A Thyroid hormone receptor beta agonist compounds 拓臻制药公司 2022-05-03 CN disclosed