SCHEMBL7236267

SCHEMBL7236267

C[C@@H](c1ccccc1)n1nn[nH]c1=O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.44
ROCK2 O75116 2/20 0.41
MET P08581 6/20 0.41
CYP2D6 P10635 1/20 0.40
TRPC5 Q9UL62 1/20 0.40
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
BRD4 O60885 1/20 0.38
HSD17B10 Q99714 1/20 0.38
OPRM1 P35372 1/20 0.38
MAPK1 P28482 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
SCHEMBL7240856 1.00 FAAH (0.44) FAAHROCK2METCYP2D6TRPC5
SCHEMBL7778966 0.83 SIGMAR1 (0.36) FAAHROCK2MET
SCHEMBL5906019 0.83 OPRM1 (0.39) CYP2D6TDP1BRD4OPRM1MAPK1
SCHEMBL5906281 0.83 ATM (0.40) FAAHMET
SCHEMBL5905987 0.83 MET (0.44) FAAHMETBRD4OPRM1MAPK1
SCHEMBL7778841 0.82 MEN1 (0.47) CYP2D6ALDH1A1OPRM1
SCHEMBL5906272 0.80 PDE2A (0.49)
SCHEMBL5905919 0.79 DAO (0.46) BRD4
SCHEMBL7231652 0.79 SIGMAR1 (0.37) ALDH1A1BRD4OPRM1
SCHEMBL7236296 0.79 SIGMAR1 (0.37) ALDH1A1BRD4OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6548450-B1 Herbicides NIHON BAYER AGROCHEM, K.K. (JP) 2003-04-15 US disclosed
EP-1183246-A1 TETRAZOLINONE DERIVATIVES NIHON BAYER AGROCHEM K.K. (JP) 2002-03-06 EP disclosed
WO-2000071527-A1 TETRAZOLINONE DERIVATIVES NIHON BAYER AGROCHEM K.K. (DE) 2000-11-30 WO disclosed
JP-2000327668-A TETRAZOLINONE DERIVATIVE NIPPON BAYER AGROCHEM CO LTD 2000-11-28 JP disclosed