SCHEMBL30574162

SCHEMBL30574162

FC(F)(F)c1ccc2c(c1)C1(CCC3(CC1)OCCO3)OC2

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 2/20 0.36
PARP1 P09874 1/20 0.33
PARP10 Q53GL7 1/20 0.33
SLC5A1 P13866 1/20 0.33
SLC5A2 P31639 1/20 0.33
HTR2A P28223 3/20 0.32
HTR2C P28335 3/20 0.32
HTR2B P41595 3/20 0.32
PNMT P11086 3/20 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
SCHEMBL24203658 0.90 TDP2 (0.38) TDP2PARP1PARP10HTR2AHTR2C
SCHEMBL30574140 0.83 SLC6A3 (0.37) TDP2SLC5A1SLC5A2
SCHEMBL3745692 0.81 HTR2C (0.38) TDP2PARP1PARP10SLC5A1SLC5A2
SCHEMBL11843801 0.79 SLC6A2 (0.40)
SCHEMBL30574127 0.79 TDP2 (0.39) TDP2PARP1PARP10
SCHEMBL8013342 0.75 GRIN1 (0.50)
SCHEMBL6350679 0.74 SIGMAR1 (0.47)
SCHEMBL30574142 0.73 AVPR1A (0.39)
SCHEMBL29190448 0.73 TDP2 (0.38) TDP2PNMT
SCHEMBL31064604 0.72 TDP2 (0.37) TDP2PARP1PARP10HTR2AHTR2C

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-116640094-A Compounds as PRMT1 inhibitors and uses thereof 南京圣和药业股份有限公司 2023-08-25 CN disclosed