SCHEMBL13812591

SCHEMBL13812591

CN(C)c1ccc(CCOc2cccc(NC(=O)c3cc(Cl)ccc3O)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ P2RX1 P51575 11/20 0.56
▸ FADS1 O60427 2/20 0.55
▸ P2RX4 Q99571 2/20 0.54
▸ P2RX7 Q99572 2/20 0.54
▸ MAPT P10636 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ MCL1 Q07820 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ TMPRSS4 Q9NRS4 4/20 0.49
▸ SIRT2 Q8IXJ6 1/20 0.48
▸ SLC2A1 P11166 1/20 0.47
▸ LMNA P02545 1/20 0.45

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
SCHEMBL13812606 0.89 P2RX1 (0.59) P2RX1FADS1P2RX4P2RX7MAPT
SCHEMBL3863657 0.88 P2RX1 (0.62) P2RX1FADS1P2RX4P2RX7TMPRSS4
SCHEMBL13812602 0.84 P2RX1 (0.58) P2RX1FADS1P2RX4P2RX7MAPT
SCHEMBL13812577 0.84 P2RX1 (0.55) P2RX1FADS1P2RX4P2RX7MAPT
SCHEMBL13812642 0.83 P2RX1 (0.61) P2RX1FADS1P2RX4P2RX7MAPT
SCHEMBL13812578 0.82 P2RX1 (0.61) P2RX1FADS1P2RX4P2RX7TMPRSS4
SCHEMBL13812562 0.82 TMPRSS4 (0.62) P2RX1FADS1P2RX4P2RX7TMPRSS4
SCHEMBL13812655 0.81 KCNMA1 (0.51) P2RX1P2RX4P2RX7MAPTMAPK1
SCHEMBL13812608 0.80 P2RX1 (0.58) P2RX1FADS1P2RX4P2RX7MAPT
SCHEMBL13812601 0.80 P2RX1 (0.58) P2RX1FADS1P2RX4P2RX7MAPT

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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