SCHEMBL22033016

SCHEMBL22033016

O=C(Nc1cccc(C(F)(F)F)c1)c1cc(N2CCCS2(=O)=O)cc(Cl)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 8/20 0.48
▸ TP53 P04637 4/20 0.48
▸ P2RX1 P51575 2/20 0.47
▸ SLC2A1 P11166 1/20 0.47
▸ P2RX4 Q99571 1/20 0.47
▸ P2RX7 Q99572 1/20 0.47
▸ TMPRSS4 Q9NRS4 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ PTGS1 P23219 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
SCHEMBL22033014 0.91 RXFP1 (0.49) RXFP1P2RX1SLC2A1P2RX4P2RX7
SCHEMBL22032910 0.90 P2RX1 (0.45) TP53P2RX1P2RX4P2RX7TMPRSS4
SCHEMBL22033381 0.89 RXFP1 (0.52) RXFP1TP53P2RX1SLC2A1P2RX4
SCHEMBL22033146 0.87 TMPRSS4 (0.41) TP53P2RX1P2RX4P2RX7TMPRSS4
SCHEMBL22032960 0.87 TP53 (0.52) TP53P2RX1P2RX4P2RX7MEN1
SCHEMBL22082883 0.83 TP53 (0.48) TP53P2RX1MEN1KMT2A
SCHEMBL22082834 0.82 BACE1 (0.42) TP53P2RX1P2RX4P2RX7TMPRSS4
SCHEMBL22032909 0.81 P2RX1 (0.46) P2RX1P2RX4P2RX7TMPRSS4MEN1
SCHEMBL22033345 0.81 TP53 (0.49) TP53P2RX1P2RX4P2RX7MEN1
SCHEMBL22033920 0.80 TP53 (0.44) TP53P2RX1P2RX4P2RX7TMPRSS4

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
WO-2020117877-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE AQUINNAH PHARMACEUTICALS, INC. (US) 2020-06-11 — — WO disclosed
WO-2020117877-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE AQUINNAH PHARMACEUTICALS, INC. (US) 2020-06-11 — — WO disclosed
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