SCHEMBL13812653

SCHEMBL13812653

O=C(Nc1cc(Cl)ccc1OCCc1ccccc1F)c1cc(Cl)ccc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 7/20 0.55
▸ LMNA P02545 2/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ TAS1R3 Q7RTX0 1/20 0.51
▸ TAS1R1 Q7RTX1 1/20 0.51
▸ TAS1R2 Q8TE23 1/20 0.51
▸ MAPT P10636 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ USP2 O75604 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ TMPRSS4 Q9NRS4 3/20 0.49
▸ P2RX1 P51575 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.47
▸ HIF1A Q16665 1/20 0.47

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
SCHEMBL13812654 0.89 KCNMA1 (0.54) KCNMA1TAS1R3TAS1R1TAS1R2MAPT
SCHEMBL13812623 0.88 KCNMA1 (0.55) KCNMA1LMNANPSR1MAPTMEN1
SCHEMBL13812629 0.87 TMPRSS4 (0.55) KCNMA1MAPTMEN1USP2TP53
SCHEMBL13812684 0.87 KCNMA1 (0.59) KCNMA1LMNAMAPTMEN1USP2
SCHEMBL13812892 0.85 KCNMA1 (0.51) KCNMA1LMNAMAPTMEN1USP2
SCHEMBL3861646 0.85 KCNMA1 (0.56) KCNMA1LMNAL3MBTL1NPSR1TAS1R3
SCHEMBL13812648 0.84 P2RX1 (0.57) KCNMA1LMNAL3MBTL1TAS1R3TAS1R1
SCHEMBL13812828 0.82 TMPRSS4 (0.60) KCNMA1MEN1KMT2ATMPRSS4P2RX1
SCHEMBL13812539 0.82 TAS1R3 (0.53) KCNMA1LMNAL3MBTL1NPSR1TAS1R3
SCHEMBL13812635 0.82 KCNMA1 (0.59) KCNMA1TAS1R3TAS1R1TAS1R2MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547804-B2 Compounds, compositions, and methods employing same MYRIAD GENETICS, INC. (US) 2009-06-16 — — US disclosed
US-7547804-B2 Compounds, compositions, and methods employing same MYRIAD GENETICS, INC. (US) 2009-06-16 — — US disclosed
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