SCHEMBL8635219

SCHEMBL8635219

CCCNC(=O)C(C)=Cc1cc(NC(=O)C2=C(C(N)=O)CCCC2)ccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.39
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
IDO1 P14902 2/20 0.36
KCNH2 Q12809 1/20 0.36
DHODH Q02127 3/20 0.35
PARP1 P09874 1/20 0.34
PARP15 Q460N3 1/20 0.34
PARP10 Q53GL7 1/20 0.34
NAMPT P43490 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.33
THRB P10828 1/20 0.33
RECQL P46063 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BCAT2 O15382 1/20 0.33
LMNA P02545 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL7961292 0.93 NPSR1 (0.41) NPSR1KMT2AMEN1IDO1KCNH2
SCHEMBL7961296 0.93 NPSR1 (0.41) NPSR1KMT2AMEN1IDO1KCNH2
SCHEMBL8635223 0.78 SLC6A2 (0.31)
SCHEMBL8635218 0.78 SLC6A2 (0.31)
SCHEMBL7964432 0.78 NPSR1 (0.41) NPSR1DHODHPARP1PARP15PARP10
SCHEMBL7964429 0.78 NPSR1 (0.41) NPSR1DHODHPARP1PARP15PARP10
SCHEMBL7762961 0.77 NPSR1 (0.39) NPSR1KMT2ADHODHPARP1PARP15
SCHEMBL7967762 0.77 NPSR1 (0.39) NPSR1KMT2ADHODHPARP1PARP15
SCHEMBL8637532 0.70 NPSR1 (0.40) NPSR1KMT2AMEN1DHODHPARP1
SCHEMBL8304677 0.68 NPSR1 (0.50) NPSR1KMT2ADHODHPARP1PARP15

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-5817603-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-10-06 US disclosed