SCHEMBL29561995

SCHEMBL29561995

Brc1cc2ccc1CCc1ccc(c(Br)c1)CC2

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
RYR1 P21817 2/20 0.31
FKBP1A P62942 1/20 0.31
PNMT P11086 1/20 0.30
ASIC3 Q9UHC3 1/20 0.30

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
SCHEMBL4612611 1.00 TDP1 (0.31) TDP1L3MBTL1RYR1FKBP1APNMT
SCHEMBL2262585 0.97 NR1H2 (0.32) TDP1L3MBTL1RYR1FKBP1A
SCHEMBL19912596 0.87
SCHEMBL19528866 0.87
SCHEMBL14122442 0.85 TSHR (0.36)
SCHEMBL4612895 0.80 ERN1 (0.30)
SCHEMBL4612280 0.80
SCHEMBL4613095 0.80 HTR2A (0.44)
SCHEMBL19529200 0.78 ADRA2A (0.35) PNMT
SCHEMBL4612743 0.77 SMN1; SMN2 (0.38) TDP1L3MBTL1

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-113999263-B Synthesis method of tri-substituted phosphine oxide compound 苏州欣诺科生物科技有限公司 2022-04-01 CN disclosed