SCHEMBL8308330

SCHEMBL8308330

CCN(C(=O)n1nnn(-c2nccn2Cc2ccccc2)c1=O)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
OPRD1 P41143 4/20 0.38
OPRK1 P41145 3/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
FDPS P14324 1/20 0.36
POLB P06746 2/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL8309370 0.87 DAGLA (0.42) LMNAOPRD1OPRK1ALDH1A1CYP1A2
SCHEMBL8307255 0.75 NOTUM (0.43) LMNAALDH1A1POLBKMT2AMEN1
SCHEMBL9283536 0.75 POLB (0.45) LMNAALDH1A1POLBHPGDKMT2A
SCHEMBL8464531 0.69 KMT2A (0.39) LMNAALDH1A1CYP1A2HTTKMT2A
SCHEMBL8464528 0.69 KMT2A (0.39) LMNAALDH1A1CYP1A2HTTKMT2A
SCHEMBL8923229 0.69 HCAR1 (0.33) LMNAFNTAFNTB
SCHEMBL8923227 0.69 HCAR1 (0.33) LMNAFNTAFNTB
SCHEMBL9619981 0.67 TSHR (0.39) LMNAALDH1A1CYP1A2CYP2C19POLB
SCHEMBL8603399 0.66 FLT4 (0.32)
SCHEMBL8304509 0.66 HSD17B10 (0.43) LMNAALDH1A1CYP1A2CYP2D6CYP2C19

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