SCHEMBL8688652

SCHEMBL8688652

COc1cccnc1-n1nn[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.40
OPRL1 P41146 1/20 0.40
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
PDE5A O76074 2/20 0.37
AURKA O14965 1/20 0.37
PLAU P00749 1/20 0.36
BTK Q06187 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 1/20 0.35
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 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
SCHEMBL8691683 0.81 NPSR1 (0.40) OPRL1KDM4EALDH1A1NPC1RAB9A
SCHEMBL8920650 0.79 KDM4E (0.35) KDM4EALDH1A1PDE5A
SCHEMBL5906062 0.78 MGLL (0.47) KDM4EALDH1A1HPGDLMNAPOLB
SCHEMBL8687317 0.78 HSD11B1 (0.35)
SCHEMBL8686576 0.78 BTK (0.43) BTKNPC1RAB9AL3MBTL1
SCHEMBL8686392 0.76 EPHX2 (0.49) HTT
SCHEMBL15352472 0.75 TIPARP (0.41) KDM4EALDH1A1HPGDPOLBHTT
SCHEMBL18504141 0.74 MGLL (0.36) KDM4EALDH1A1HPGDPOLBHTT
SCHEMBL12114356 0.74 MAPK11 (0.37) KDM4EALDH1A1HPGDLMNAHTT
SCHEMBL8686853 0.72 DAO (0.35) KDM4EALDH1A1SMN1; SMN2

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
US-5710278-A Herbicidal 1-pyridyltetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1998-01-20 US disclosed
US-5641727-A Herbicidal 1-pyridyltetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1997-06-24 US disclosed
EP-0692482-A2 1-pyridyltetrazolinone derivatives NIHON BAYER AGROCHEM K.K. (JP) 1996-01-17 EP disclosed