SCHEMBL8302279

SCHEMBL8302279

Cn1ccnc1-n1nn[nH]c1=O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LPO P22079 1/20 0.34
KDM4E B2RXH2 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAT2A P31153 1/20 0.31
PTP4A3 O75365 1/20 0.31
BRD4 O60885 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL8304509 0.70 HSD17B10 (0.43) HSD17B10BRD4
SCHEMBL8308197 0.69 ALDH1A1 (0.37) KDM4ENPSR1
SCHEMBL8304692 0.68 KDM4E (0.37) KDM4E
SCHEMBL8303561 0.68 CRBN (0.35) KDM4E
SCHEMBL8307321 0.66 GRM7 (0.31)
SCHEMBL8307323 0.66 PRMT5 (0.32)
SCHEMBL8307690 0.66 COMT (0.36)
SCHEMBL8303743 0.65 CYP3A4 (0.30)
SCHEMBL8308735 0.64 PRMT5 (0.33)
SCHEMBL8691683 0.63 NPSR1 (0.40) KDM4ENPSR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0695748-B1 Tetrazolinone herbicides BAYER AGROCHEM KK (JP) 1999-05-06 EP disclosed
US-5589439-A HERBICIDES NIHON BAYER AGROCHEM K.K. (JP) 1996-12-31 US disclosed
EP-0695748-A1 Tetrazolinone herbicides NIHON BAYER AGROCHEM K.K. (JP) 1996-02-07 EP disclosed