SCHEMBL29211122

SCHEMBL29211122

O=C(Nc1ccc(Cl)cc1)c1cc(Cl)cc(Cl)c1O.O=C(Nc1ccc(I)cc1)c1cc(I)ccc1O

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 5/20 0.64
PTGS1 P23219 1/20 0.59
TBXAS1 P24557 1/20 0.59
MAPK1 P28482 1/20 0.59
PTGS2 P35354 1/20 0.59
MAPK14 Q16539 1/20 0.59
TMPRSS4 Q9NRS4 5/20 0.56
P2RX4 Q99571 3/20 0.56
P2RX7 Q99572 3/20 0.56
KCNMA1 Q12791 2/20 0.55
STK39 Q9UEW8 5/20 0.55
PNLIP P16233 1/20 0.55
PARG Q86W56 1/20 0.51

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
SCHEMBL14223810 0.88 P2RX1 (0.77) P2RX1TMPRSS4P2RX4P2RX7KCNMA1
SCHEMBL17845883 0.86 P2RX1 (0.82) P2RX1TMPRSS4P2RX4P2RX7KCNMA1
SCHEMBL649911 0.85 PTGS1 (0.77) P2RX1PTGS1TBXAS1MAPK1PTGS2
SCHEMBL29375129 0.85 PTGS1 (0.77) P2RX1PTGS1TBXAS1MAPK1PTGS2
SCHEMBL30887951 0.83 P2RX1 (0.60) P2RX1TMPRSS4P2RX4P2RX7KCNMA1
SCHEMBL2170423 0.83 P2RX1 (0.60) P2RX1TMPRSS4P2RX4P2RX7KCNMA1
SCHEMBL330901 0.80 P2RX1 (0.74) P2RX1TMPRSS4P2RX4P2RX7KCNMA1
SCHEMBL2169619 0.80 P2RX1 (1.00) P2RX1TMPRSS4P2RX4P2RX7KCNMA1
SCHEMBL29454776 0.80 P2RX1 (1.00) P2RX1TMPRSS4P2RX4P2RX7KCNMA1
SCHEMBL21570088 0.78 STK39 (0.85) PTGS1TBXAS1MAPK1PTGS2MAPK14

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-118042960-A Filaments for oral care implements 联合利华知识产权控股有限公司 2024-05-14 CN disclosed