SCHEMBL8977312

SCHEMBL8977312

COc1ccc(-n2nn[nH]c2=O)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TIPARP Q7Z3E1 2/20 0.41
SMURF1 Q9HCE7 1/20 0.38
NPBWR1 P48145 4/20 0.38
MCHR1 Q99705 3/20 0.37
PKM P14618 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
ALDH1A1 P00352 3/20 0.37
NPC1 O15118 2/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
RAB9A P51151 2/20 0.37
KMT2A Q03164 2/20 0.37
S1PR4 O95977 1/20 0.37
S1PR1 P21453 1/20 0.37
PAX8 Q06710 1/20 0.37
CYP1A2 P05177 1/20 0.37
LMNA P02545 1/20 0.36
OPRK1 P41145 1/20 0.36
PDE3B Q13370 1/20 0.36

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
SCHEMBL9620476 0.81 ALDH1A1 (0.48) ALDH1A1MAPTKMT2ALMNA
SCHEMBL8599860 0.80 TLR8 (0.49) PKMSMN1; SMN2ALDH1A1NPC1MAPT
SCHEMBL9730624 0.78 ALDH1A1 (0.44) PKMSMN1; SMN2ALDH1A1NPC1MAPT
SCHEMBL1943803 0.78 MEN1 (0.39) KMT2AMEN1TLR8
SCHEMBL8598461 0.75 L3MBTL1 (0.48) SMN1; SMN2ALDH1A1NPC1MAPTHTT
SCHEMBL5905873 0.75 CYP1A2 (0.42) NPBWR1MCHR1ALDH1A1MAPTHTT
SCHEMBL9730064 0.75 PPOX (0.40) TIPARPNPBWR1MCHR1PKMHSD17B10
SCHEMBL9730328 0.75 HCAR1 (0.38) TLR8
SCHEMBL18504147 0.75 CYP1A2 (0.56) NPBWR1MCHR1PKMHSD17B10SMN1; SMN2
SCHEMBL8599859 0.74 MARS1 (0.39) ALDH1A1HTTKMT2ACYP1A2MEN1

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-0708097-A1 Herbicidally active tetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1996-04-24 EP disclosed