SCHEMBL13812618

SCHEMBL13812618

Cc1cc(C)cc(CNCc2cccc(NC(=O)c3cc(Cl)ccc3O)c2)c1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ P2RX1 P51575 12/20 0.64
▸ TMPRSS4 Q9NRS4 5/20 0.64
▸ P2RX4 Q99571 3/20 0.62
▸ P2RX7 Q99572 3/20 0.62
▸ SLC2A1 P11166 1/20 0.54
▸ FADS1 O60427 3/20 0.51
▸ KCNMA1 Q12791 2/20 0.50
▸ PARP1 P09874 1/20 0.49

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
SCHEMBL13812582 0.89 TMPRSS4 (0.69) P2RX1TMPRSS4P2RX4P2RX7SLC2A1
SCHEMBL13812616 0.87 P2RX1 (0.59) P2RX1TMPRSS4P2RX4P2RX7SLC2A1
SCHEMBL13812619 0.84 P2RX1 (0.56) P2RX1TMPRSS4P2RX4P2RX7SLC2A1
SCHEMBL4272739 0.82 P2RX1 (0.72) P2RX1TMPRSS4P2RX4P2RX7SLC2A1
SCHEMBL13812621 0.81 P2RX1 (0.67) P2RX1TMPRSS4P2RX4P2RX7SLC2A1
SCHEMBL13812580 0.81 TMPRSS4 (0.69) P2RX1TMPRSS4P2RX4P2RX7SLC2A1
SCHEMBL13812651 0.81 P2RX1 (0.62) P2RX1TMPRSS4P2RX4P2RX7SLC2A1
SCHEMBL3860231 0.81 P2RX1 (0.78) P2RX1TMPRSS4P2RX4P2RX7SLC2A1
SCHEMBL13189433 0.80 P2RX1 (0.69) P2RX1TMPRSS4P2RX4P2RX7SLC2A1
SCHEMBL11932157 0.79 P2RX1 (1.00) P2RX1TMPRSS4P2RX4P2RX7KCNMA1

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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