SCHEMBL8024666

SCHEMBL8024666

CO/N=C(/C(=O)O)c1cccnc1CBr

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.37
KDM4E B2RXH2 2/20 0.37
L3MBTL1 Q9Y468 4/20 0.36
PKM P14618 1/20 0.36
HIF1A Q16665 2/20 0.36
ALDH1A1 P00352 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TSHR P16473 2/20 0.36
MAPT P10636 2/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
BLM P54132 1/20 0.36
AGER Q15109 1/20 0.36
NAPRT Q6XQN6 2/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
P2RX7 Q99572 1/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
HTT P42858 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
SCHEMBL8025024 0.87 HIF1A (0.47) TDP1KDM4EL3MBTL1PKMHIF1A
SCHEMBL8022654 0.81 P2RX7 (0.47) TDP1KDM4EL3MBTL1PKMHIF1A
SCHEMBL3459416 0.78 HIF1A (0.46) KDM4EHIF1AALDH1A1TSHRMAPT
SCHEMBL30714836 0.78 HIF1A (0.46) KDM4EHIF1AALDH1A1TSHRMAPT
SCHEMBL5630085 0.78 HIF1A (0.46) KDM4EHIF1AALDH1A1TSHRMAPT
SCHEMBL7457790 0.78 HIF1A (0.46) KDM4EHIF1AALDH1A1TSHRMAPT
SCHEMBL4556786 0.75 TDP1 (0.53) TDP1KDM4EL3MBTL1PKMALDH1A1
SCHEMBL29361610 0.75 TDP1 (0.53) TDP1KDM4EL3MBTL1PKMALDH1A1
SCHEMBL8472827 0.75 KDM4E (0.46) TDP1KDM4EL3MBTL1ALDH1A1NPSR1
SCHEMBL5252687 0.74 KDM4E (0.59) TDP1KDM4EL3MBTL1ALDH1A1NPSR1

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