SCHEMBL8302567

SCHEMBL8302567

CCN(C(=O)n1nnn(-c2cc(C)n(Cc3ccccc3)c2C)c1=O)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
NOTUM Q6P988 1/20 0.39
TSHR P16473 2/20 0.38
S1PR2 O95136 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 1/20 0.36
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
PTAFR P25105 1/20 0.35
ATM Q13315 1/20 0.35
AGER Q15109 1/20 0.35
BRD4 O60885 1/20 0.35
ITK Q08881 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
OPRM1 P35372 1/20 0.34
TRPV1 Q8NER1 2/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34

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 0.84 NOTUM (0.45) NOTUMTSHRS1PR2ALDH1A1SMN1; SMN2
SCHEMBL8307903 0.83 NOTUM (0.48) NOTUMTSHRS1PR2ALDH1A1SMN1; SMN2
SCHEMBL8307255 0.81 NOTUM (0.43) NOTUMTSHRS1PR2ALDH1A1SMN1; SMN2
SCHEMBL12115667 0.81 L3MBTL1 (0.43) L3MBTL1TSHRALDH1A1RAB9AATM
SCHEMBL8304141 0.80 L3MBTL1 (0.43) L3MBTL1ALDH1A1SMN1; SMN2NPC1MEN1
Fentrazamide SCHEMBL116505 0.80 L3MBTL1 (0.42) L3MBTL1TSHRRAB9AATMAGER
SCHEMBL8904153 0.80 L3MBTL1 (0.42) L3MBTL1TSHRRAB9AATMAGER
Fentrazamide SCHEMBL30750933 0.80 L3MBTL1 (0.42) L3MBTL1TSHRRAB9AATMAGER
SCHEMBL8904157 0.80 L3MBTL1 (0.42) L3MBTL1TSHRRAB9AATMAGER
SCHEMBL12115659 0.80 L3MBTL1 (0.44) L3MBTL1ALDH1A1RAB9ANPC1ATM

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