SCHEMBL18504801

SCHEMBL18504801

O=C(NCl)c1cccc(OC(F)(F)F)c1COc1ccn(O)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 4/20 0.35
KCNK9 Q9NPC2 4/20 0.35
RXFP1 Q9HBX9 1/20 0.34
F2R P25116 1/20 0.34
GUCY1B2 O75343 5/20 0.33
GUCY1A2 P33402 5/20 0.33
GUCY1A1 Q02108 5/20 0.33
GUCY1B1 Q02153 5/20 0.33
P2RX7 Q99572 1/20 0.33
SSTR4 P31391 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL18504661 0.91 HDAC1 (0.40) KCNK3KCNK9RXFP1F2RGUCY1B2
SCHEMBL22564291 0.89 KCNK3 (0.35) KCNK3KCNK9RXFP1F2RGUCY1B2
SCHEMBL18504989 0.88 RXRA (0.34) KCNK3KCNK9RXFP1F2RP2RX7
SCHEMBL18504616 0.87 SGMS2 (0.32) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL18504652 0.87 RXRA (0.39) KCNK3KCNK9HCRTR1HCRTR2RXRA
SCHEMBL18504239 0.86 KCNK3 (0.37) KCNK3KCNK9F2RSSTR4HCRTR1
SCHEMBL18504727 0.86 SCN9A (0.41) RXRARXRBRXRGSCN9A
SCHEMBL18504763 0.86 RXRA (0.36) KCNK3KCNK9RXFP1F2RGUCY1B2
SCHEMBL18504750 0.86 NPC1 (0.37) KCNK3KCNK9RXFP1TP53
SCHEMBL18504636 0.85 SMN1; SMN2 (0.37) P2RX7

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
US-9565856-B2 Tetrazolinone compounds and its use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-14 US disclosed