SCHEMBL22032909

SCHEMBL22032909

O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(N2CCCS2(O)O)cc(Cl)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX1 P51575 8/20 0.46
▸ TMPRSS4 Q9NRS4 5/20 0.46
▸ P2RX4 Q99571 4/20 0.46
▸ P2RX7 Q99572 4/20 0.46
▸ IKBKB O14920 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ CHUK O15111 1/20 0.44
▸ KDR P35968 1/20 0.44
▸ FLT3 P36888 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ MYLK Q15746 1/20 0.44
▸ MAP4K5 Q9Y4K4 1/20 0.44
▸ JUN P05412 8/20 0.42
▸ NFKB1 P19838 8/20 0.42
▸ NFKB2 Q00653 8/20 0.42
▸ RELA Q04206 8/20 0.42
▸ XPO1 O14980 3/20 0.42
▸ ATF1 P18846 1/20 0.42
▸ TLR7 Q9NYK1 1/20 0.41
▸ MAPT P10636 1/20 0.40

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
SCHEMBL22033143 0.95 P2RX1 (0.42) P2RX1TMPRSS4P2RX4P2RX7IKBKB
SCHEMBL22032910 0.91 P2RX1 (0.45) P2RX1TMPRSS4P2RX4P2RX7IKBKB
SCHEMBL22033014 0.90 RXFP1 (0.49) P2RX1TMPRSS4P2RX4P2RX7MEN1
SCHEMBL22033338 0.87 P2RX1 (0.48) P2RX1TMPRSS4P2RX4P2RX7IKBKB
SCHEMBL22033344 0.87 P2RX1 (0.40) P2RX1P2RX4P2RX7MEN1KMT2A
SCHEMBL22033918 0.87 MAPT (0.40) P2RX1TMPRSS4P2RX4P2RX7MEN1
SCHEMBL22033146 0.86 TMPRSS4 (0.41) P2RX1TMPRSS4P2RX4P2RX7IKBKB
SCHEMBL22033247 0.85 MAPT (0.41) P2RX1TMPRSS4MEN1KMT2AMAPT
SCHEMBL22032991 0.84 P2RX1 (0.38) P2RX1P2RX4P2RX7MEN1KMT2A
SCHEMBL22033214 0.82 TP53 (0.38) P2RX1TMPRSS4MEN1KMT2AJUN

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 1 patent. 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
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