SCHEMBL29129294

SCHEMBL29129294

COC(CNCc1cccc(Br)c1C)OC

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTR2A P28223 4/20 0.34
HTR2C P28335 4/20 0.34
CD274 Q9NZQ7 3/20 0.32
BCHE P06276 1/20 0.32
OPRK1 P41145 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PDCD1LG2 Q9BQ51 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31

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
SCHEMBL29987526 1.00 MEN1 (0.38) MEN1KMT2AHTR2AHTR2CCD274
SCHEMBL31048634 0.85 MEN1 (0.46) MEN1KMT2AHTR2AHTR2CTAAR1
SCHEMBL29988047 0.83 HTR2A (0.43) MEN1KMT2AHTR2AHTR2CCD274
SCHEMBL29129295 0.83 HTR2A (0.43) MEN1KMT2AHTR2AHTR2CCD274
SCHEMBL5547204 0.77 CHRM2 (0.51) MEN1KMT2AKDM4EALDH1A1TAAR1
SCHEMBL22787688 0.75 L3MBTL1 (0.38) MEN1KMT2AHTR2AHTR2CKDM4E
SCHEMBL11454913 0.73 CYP1A2 (0.46) MEN1KMT2ACD274KDM4EALDH1A1
SCHEMBL22093865 0.73 KMT2A (0.40) MEN1KMT2AHTR2AHTR2CKDM4E
SCHEMBL31308967 0.73 KMT2A (0.40) MEN1KMT2AHTR2AHTR2CKDM4E
SCHEMBL13724407 0.72 MAPK1 (0.47) MEN1KMT2AHTR2AHTR2CTAAR1

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-117279896-A Amino substituted pyrido ring compounds, preparation method and application thereof 劲方医药科技(上海)有限公司 2023-12-22 CN disclosed