SCHEMBL22033381

SCHEMBL22033381

O=C(Nc1cccc(C(F)(F)F)c1)c1cc(N2CCCS2(=O)=O)ccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 7/20 0.52
▸ TP53 P04637 5/20 0.51
▸ P2RX1 P51575 2/20 0.48
▸ SLC2A1 P11166 1/20 0.48
▸ P2RX4 Q99571 1/20 0.48
▸ P2RX7 Q99572 1/20 0.48
▸ TMPRSS4 Q9NRS4 1/20 0.48
▸ CSF1R P07333 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ KIF18A Q8NI77 1/20 0.46

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
SCHEMBL22033379 0.91 RXFP1 (0.53) RXFP1P2RX1SLC2A1P2RX4P2RX7
SCHEMBL22033341 0.91 P2RX1 (0.47) TP53P2RX1P2RX4P2RX7TMPRSS4
SCHEMBL22033016 0.89 RXFP1 (0.48) RXFP1TP53P2RX1SLC2A1P2RX4
SCHEMBL22033574 0.88 TP53 (0.45) TP53P2RX1P2RX4P2RX7TMPRSS4
SCHEMBL22033050 0.87 TP53 (0.55) TP53P2RX1P2RX4P2RX7MEN1
SCHEMBL22033674 0.85 TP53 (0.53) TP53MEN1KMT2AKIF18A
SCHEMBL22081964 0.85 TP53 (0.53) TP53CSF1RMEN1KMT2AKIF18A
SCHEMBL22032869 0.84 MEN1 (0.53) TP53MEN1KMT2ASMN1; SMN2
SCHEMBL22032948 0.83 TP53 (0.54) TP53MEN1KMT2APTGS1
SCHEMBL22033064 0.81 TP53 (0.54) TP53P2RX1P2RX4P2RX7MEN1

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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