SCHEMBL9690907

SCHEMBL9690907

O=C1c2cccc(-c3ccccc3)c2C(=O)N1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
LMNA P02545 1/20 0.38
NR1H2 P55055 1/20 0.37
S100A4 P26447 2/20 0.37
PTPRC P08575 1/20 0.37
SCN2A Q99250 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
HSPA1A P0DMV8 1/20 0.36
PABPC1 P11940 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
SCHEMBL891427 0.80 SCN2A (0.50) ALDH1A1TDP1NR1H2S100A4PTPRC
SCHEMBL9503453 0.78 S100A4 (0.58) ALDH1A1TDP1LMNAS100A4PTPRC
SCHEMBL15577172 0.72 ERCC1 (0.55) ALDH1A1LMNAMEN1KMT2APOLB
SCHEMBL29763759 0.69 HNF4A (0.44) ALDH1A1HDAC4HDAC2HDAC8HDAC6
SCHEMBL7993799 0.69 NR1H2 (0.42) ALDH1A1HDAC4HDAC2HDAC8HDAC6
SCHEMBL29575337 0.68 TDP1 (0.71) ALDH1A1TDP1LMNAS100A4PTPRC
SCHEMBL9444834 0.68 TDP1 (0.71) ALDH1A1TDP1LMNAS100A4PTPRC
SCHEMBL28806770 0.68 HNF4A (0.43) ALDH1A1HDAC4HDAC2HDAC8HDAC6
SCHEMBL22636895 0.68 ALDH1A1 (0.42) ALDH1A1TDP1LMNASCN2AMEN1
SCHEMBL11333782 0.67 S100A4 (0.66) ALDH1A1TDP1LMNAS100A4PTPRC

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
EP-0322401-B1 TETRAHYDROPHTHALIMIDE DERIVATIVES, THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-07-08 EP disclosed