SCHEMBL8022654

SCHEMBL8022654

CO/N=C(/C(=O)O)c1cccnc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.47
KDM4E B2RXH2 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
MYC P01106 1/20 0.39
ALDH1A1 P00352 4/20 0.39
NPSR1 Q6W5P4 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
BLM P54132 1/20 0.39
AGER Q15109 1/20 0.39
NAPRT Q6XQN6 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HTT P42858 1/20 0.37
PKM P14618 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
SCHEMBL8024933 0.86 P2RX7 (0.50) P2RX7KDM4ETDP1ALDH1A1NPSR1
SCHEMBL8024666 0.81 TDP1 (0.37) P2RX7KDM4ETDP1ALDH1A1NPSR1
SCHEMBL10828788 0.77 RAB9A (0.40) KDM4ETDP1ALDH1A1NPSR1L3MBTL1
SCHEMBL10828785 0.77 RAB9A (0.40) KDM4ETDP1ALDH1A1NPSR1L3MBTL1
SCHEMBL3691371 0.77 RAB9A (0.47) KDM4EMYCALDH1A1SMN1; SMN2NPC1
SCHEMBL29883665 0.77 RAB9A (0.47) KDM4EMYCALDH1A1SMN1; SMN2NPC1
SCHEMBL3688001 0.77 RAB9A (0.47) KDM4EMYCALDH1A1SMN1; SMN2NPC1
SCHEMBL29883932 0.77 RAB9A (0.47) KDM4EMYCALDH1A1SMN1; SMN2NPC1
SCHEMBL28365483 0.77 RAB9A (0.47) KDM4EMYCALDH1A1SMN1; SMN2NPC1
SCHEMBL31454752 0.76 RAB9A (0.46) MYCALDH1A1SMN1; SMN2NPC1RAB9A

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
US-6043197-A PESTICIDES, FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2000-03-28 US disclosed