SCHEMBL14582016

SCHEMBL14582016

O=C(Nc1cccc(C(F)(F)F)c1)c1cc(C(=O)c2cccc3ccccc23)ccc1O

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 13/20 0.66
P2RX1 P51575 4/20 0.65
P2RX4 Q99571 3/20 0.60
P2RX7 Q99572 3/20 0.60
SLC2A1 P11166 1/20 0.60
TMPRSS4 Q9NRS4 1/20 0.60
PTGS1 P23219 1/20 0.55
H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 P62805 1/20 0.54
EP300 Q09472 1/20 0.54
PRMT1 Q99873 1/20 0.54
P2RX3 P56373 1/20 0.52
MAOB P27338 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
SCHEMBL14582469 0.93 P2RX1 (0.62) RXFP1P2RX1P2RX4P2RX7TMPRSS4
SCHEMBL14582008 0.91 P2RX1 (0.61) RXFP1P2RX1P2RX4P2RX7SLC2A1
SCHEMBL5486902 0.86 H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 (0.63) TMPRSS4H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16EP300PRMT1
SCHEMBL23419298 0.85 P2RX1 (0.69) RXFP1P2RX1P2RX4P2RX7SLC2A1
Hydrochloric Acid SCHEMBL7207139 0.85 H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 (0.62) TMPRSS4H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16EP300PRMT1
SCHEMBL27652617 0.85 RXFP1 (0.88) RXFP1P2RX1P2RX4P2RX7PTGS1
Hydrochloric Acid SCHEMBL7207137 0.84 H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 (0.60) TMPRSS4H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16EP300PRMT1
SCHEMBL14582007 0.83 P2RX1 (0.65) RXFP1P2RX1P2RX4P2RX7SLC2A1
SCHEMBL14582018 0.81 P2RX1 (0.60) RXFP1P2RX1TMPRSS4H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16EP300
Salfluverine SCHEMBL2700016 0.80 P2RX1 (1.00) RXFP1P2RX1P2RX4P2RX7SLC2A1

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
EP-1328507-B1 NAPHTHYLSALICYLANILIDES AS ANTIMICROBIAL AND ANTIINFLAMMATORY AGENTS UNIV NEW YORK STATE RES FOUND (US) 2007-03-14 EP disclosed