SCHEMBL8307903

SCHEMBL8307903

Cc1cc(-n2nnn(C(=O)N(C)C)c2=O)c(C)n1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.48
TSHR P16473 3/20 0.44
S1PR2 O95136 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.42
DAGLA Q9Y4D2 3/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
BRD4 O60885 1/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
KLKB1 P03952 1/20 0.39
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KLK1 P06870 1/20 0.38

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
SCHEMBL8306338 0.90 NOTUM (0.45) NOTUMTSHRS1PR2SMN1; SMN2ALDH1A1
SCHEMBL8307255 0.87 NOTUM (0.43) NOTUMTSHRS1PR2SMN1; SMN2ALDH1A1
SCHEMBL8302567 0.83 L3MBTL1 (0.43) NOTUMTSHRS1PR2SMN1; SMN2ALDH1A1
SCHEMBL8308222 0.75 POLB (0.50) ALDH1A1DAGLAKMT2AMEN1LMNA
SCHEMBL7753134 0.74 P2RX4 (0.44) ALDH1A1DAGLA
SCHEMBL7753136 0.74 P2RX4 (0.44) ALDH1A1DAGLA
SCHEMBL8308641 0.72 NOTUM (0.47) NOTUMTSHRS1PR2SMN1; SMN2ALDH1A1
SCHEMBL8309370 0.71 DAGLA (0.42) SMN1; SMN2ALDH1A1DAGLAKMT2AMEN1
SCHEMBL12115401 0.70 NPC1 (0.43) SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL12115416 0.68 LIPE (0.42) SMN1; SMN2DAGLA

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