SCHEMBL9640767

SCHEMBL9640767

O=C1C=CNC(=O)C1.O=[N+]([O-])c1ccccc1I

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
MCL1 Q07820 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 4/20 0.34
PARP1 P09874 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
TDP2 O95551 1/20 0.33
CASP7 P55210 1/20 0.33
CASP9 P55211 1/20 0.33
CASP6 P55212 1/20 0.33
CASP8 Q14790 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
PTPRC P08575 1/20 0.33
S100A4 P26447 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL10379786 0.76 HSD17B10 (0.54) KMT2ARECQLLMNAHSD17B10ALDH1A1
SCHEMBL25105 0.76 HSD17B10 (0.54) KMT2ARECQLLMNAHSD17B10ALDH1A1
SCHEMBL28554564 0.76 HSD17B10 (0.54) KMT2ARECQLLMNAHSD17B10ALDH1A1
Barbituric Acid SCHEMBL9641923 0.75 XDH (0.43) KMT2AMAPTRECQLMCL1RXFP1
SCHEMBL10379315 0.73 HSD17B10 (0.41) KMT2AMAPTRECQLMCL1RXFP1
SCHEMBL9641571 0.73 HSD17B10 (0.41) KMT2AMAPTRECQLMCL1RXFP1
SCHEMBL1273236 0.72
SCHEMBL9641604 0.71 GAA (0.37) LMNA
SCHEMBL9641590 0.71 PTPRC (0.40) KMT2AMAPTRECQLMCL1RXFP1
Hydrochloric Acid SCHEMBL28574253 0.70

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-5106407-A Algicides, funcilides, bactericides THE DOW CHEMICAL COMPANY (US) 1992-04-21 US disclosed