SCHEMBL20195604

SCHEMBL20195604

CN(N)C(=O)N(N)c1cccc(F)c1COc1ccc(Br)cn1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 8/20 0.38
HCRTR2 O43614 6/20 0.36
PTGER1 P34995 2/20 0.36
KDM4E B2RXH2 2/20 0.34
HCRTR1 O43613 5/20 0.33
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HIF1A Q16665 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL20195459 0.84 ADORA2A (0.38) GABRA5HCRTR2HCRTR1ALDH1A1
SCHEMBL14150253 0.77 GABRA5 (0.49) GABRA5HCRTR2PTGER1KDM4EHCRTR1
SCHEMBL22037265 0.77 FFAR4 (0.35) GABRA5KDM4E
SCHEMBL20686703 0.75 ALDH1A1 (0.33) KDM4EALDH1A1GAA
SCHEMBL20195410 0.75 SGMS2 (0.42) ALDH1A1GAANPSR1
SCHEMBL18831653 0.75 MRGPRX4 (0.40) PTGER1NPSR1
SCHEMBL20845040 0.74 SLC16A3 (0.32) PTGER1ALDH1A1
SCHEMBL22037270 0.74 PTGER1 (0.43) PTGER1
SCHEMBL21317987 0.73 PTGER1 (0.41) PTGER1KDM4E
SCHEMBL22590911 0.72 ALDH1A1 (0.33) KDM4EALDH1A1GAA

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-3029035-B1 TETRAZOLINONE COMPOUND, AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2018-05-30 EP disclosed