SCHEMBL29612465

SCHEMBL29612465

O=CC1(Nc2cc(Br)ccc2[N+](=O)[O-])CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
S100A4 P26447 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ERN1 O75460 1/20 0.34
IDO1 P14902 1/20 0.34
CCKBR P32239 1/20 0.34
MAPT P10636 5/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32

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
SCHEMBL28730678 1.00 MAPK1 (0.36) MAPK1PKMRAB9AS100A4TRPV1
SCHEMBL29612473 0.79 MAPT (0.39) MAPK1PKMRAB9AS100A4TRPV1
SCHEMBL23042411 0.79 MAPT (0.39) MAPK1PKMRAB9AS100A4TRPV1
SCHEMBL29612887 0.76 MAPK1 (0.35) MAPK1PKMRAB9AS100A4TRPV1
SCHEMBL29612526 0.76 MAPK1 (0.40) MAPK1PKMRAB9AS100A4TRPV1
SCHEMBL23042586 0.76 MAPK1 (0.35) MAPK1PKMRAB9AS100A4TRPV1
SCHEMBL28730679 0.76 MAPK1 (0.40) MAPK1PKMRAB9AS100A4TRPV1
SCHEMBL25877480 0.74 MAPT (0.38) MAPK1PKMRAB9AS100A4TRPV1
SCHEMBL626410 0.72 MAPT (0.54) MAPK1PKMRAB9AS100A4TRPV1
SCHEMBL29569609 0.72 MAPT (0.54) MAPK1PKMRAB9AS100A4TRPV1

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