SCHEMBL13812570

SCHEMBL13812570

O=C(Nc1cccc(NCc2ccccc2)c1)c1cc(Cl)ccc1O

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS4 Q9NRS4 4/20 0.69
▸ P2RX1 P51575 13/20 0.67
▸ P2RX4 Q99571 4/20 0.67
▸ P2RX7 Q99572 4/20 0.67
▸ SLC2A1 P11166 1/20 0.58
▸ FADS1 O60427 2/20 0.56
▸ KCNMA1 Q12791 2/20 0.54
▸ PARP1 P09874 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52

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
SCHEMBL13812580 0.93 TMPRSS4 (0.69) TMPRSS4P2RX1P2RX4P2RX7SLC2A1
SCHEMBL13812582 0.88 TMPRSS4 (0.69) TMPRSS4P2RX1P2RX4P2RX7SLC2A1
SCHEMBL13812621 0.88 P2RX1 (0.67) TMPRSS4P2RX1P2RX4P2RX7SLC2A1
SCHEMBL13812556 0.88 P2RX1 (0.60) TMPRSS4P2RX1P2RX4P2RX7SLC2A1
SCHEMBL13812558 0.87 P2RX1 (0.59) TMPRSS4P2RX1P2RX4P2RX7SLC2A1
SCHEMBL23675429 0.85 TMPRSS4 (0.57) TMPRSS4P2RX1P2RX4P2RX7KCNMA1
SCHEMBL30100434 0.85 TMPRSS4 (0.57) TMPRSS4P2RX1P2RX4P2RX7KCNMA1
SCHEMBL6283974 0.84 SYK (0.62) TMPRSS4P2RX1MEN1KMT2A
SCHEMBL538439 0.83 TMPRSS4 (1.00) TMPRSS4P2RX1P2RX4P2RX7SLC2A1
SCHEMBL13812557 0.82 MAPT (0.57) TMPRSS4P2RX1P2RX4P2RX7FADS1

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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