SCHEMBL18504567

SCHEMBL18504567

Cc1cccc(C(=O)NBr)c1COc1ccn(O)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 1/20 0.39
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.32
FFAR1 O14842 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KLKB1 P03952 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 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
SCHEMBL18504821 0.91 HDAC3 (0.41) SGMS2HDAC3HDAC1HDAC2HDAC6
SCHEMBL18504789 0.89 SGMS2 (0.38) SGMS2HDAC3HDAC1HDAC2HDAC6
SCHEMBL18504720 0.88 SLC22A12 (0.36) SGMS2SLC22A12NR1H4FFAR1CYP1A2
SCHEMBL18505018 0.87 LMNA (0.34) SGMS2NR1H4PTGDR2KLKB1MEN1
SCHEMBL22563974 0.87 SGMS2 (0.38) SGMS2HDAC3HDAC1HDAC2HDAC6
SCHEMBL18504848 0.87 KMT2A (0.33) NR1H4MAPTMEN1KMT2AKDM4E
SCHEMBL18500066 0.87 ALDH1A1 (0.40) SGMS2MAPTKMT2AKDM4EALDH1A1
SCHEMBL18504941 0.86 KDM4E (0.39) SGMS2SLC22A12NR1H4FFAR1CYP1A2
SCHEMBL18504406 0.86 SGMS2 (0.39) SGMS2HDAC3HDAC1HDAC2HDAC6
SCHEMBL18504768 0.86 NR1H4 (0.31) NR1H4

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