SCHEMBL18504773

SCHEMBL18504773

CC(C)c1cccc(C(=O)NBr)c1COc1ccn(O)n1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.36
KCNK3 O14649 3/20 0.33
KCNK9 Q9NPC2 3/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
LMNA P02545 3/20 0.32
GAA P10253 1/20 0.32
NLRP3 Q96P20 1/20 0.31
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
LPAR1 Q92633 1/20 0.30
HTR7 P34969 1/20 0.30

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
SCHEMBL18504464 0.91 NR1H4 (0.35) NR1H4KCNK3KCNK9GABRA1GABRG2
SCHEMBL18504785 0.90 NR1H4 (0.36) NR1H4KCNK3KCNK9GABRA1GABRG2
SCHEMBL18504998 0.89 NR1H4 (0.37) NR1H4GABRA1GABRG2GABRB3NLRP3
SCHEMBL22564126 0.88 NR1H4 (0.36) NR1H4KCNK3KCNK9GABRA1GABRG2
SCHEMBL18504645 0.88 KDM4E (0.39) NR1H4KCNK3KCNK9GABRA1GABRG2
SCHEMBL18500393 0.87 NR1H4 (0.41) NR1H4GABRA1GABRG2GABRB3
SCHEMBL18504708 0.86 NR1H4 (0.37) NR1H4GABRA1GABRG2GABRB3NLRP3
SCHEMBL18504533 0.86 NR1H4 (0.35) NR1H4GABRA1GABRG2GABRB3KMT2A
SCHEMBL18504567 0.85 SGMS2 (0.39) NR1H4KMT2ASMN1; SMN2
SCHEMBL18504297 0.84 NPC1 (0.36) NR1H4GABRA1GABRG2GABRB3LMNA

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