SCHEMBL9641947

SCHEMBL9641947

CC1=CC(=O)CC(=O)O1.O=[N+]([O-])c1ccccc1I

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.39
▸ TDP1 Q9NUW8 4/20 0.37
▸ ALDH1A1 P00352 5/20 0.36
▸ MAPT P10636 3/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CA12 O43570 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ TSHR P16473 3/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ MAPK1 P28482 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ PTPN1 P18031 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ PKM P14618 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
SCHEMBL9640745 0.80 ALDH1A1 (0.41) TDP1ALDH1A1MAPTKMT2AMEN1
SCHEMBL9640754 0.74 NPC1 (0.33) ALDH1A1MAPT
SCHEMBL9641553 0.74 MAPT (0.44) HSD17B10TDP1ALDH1A1MAPTKMT2A
SCHEMBL10379786 0.73 HSD17B10 (0.54) HSD17B10TDP1ALDH1A1KMT2AMEN1
SCHEMBL25105 0.73 HSD17B10 (0.54) HSD17B10TDP1ALDH1A1KMT2AMEN1
SCHEMBL28554564 0.73 HSD17B10 (0.54) HSD17B10TDP1ALDH1A1KMT2AMEN1
SCHEMBL9640741 0.73 HSD17B10 (0.39) HSD17B10TDP1ALDH1A1MAPTKMT2A
SCHEMBL9642273 0.73 MAPT (0.46) HSD17B10TDP1ALDH1A1MAPTKMT2A
SCHEMBL9641954 0.71 ALDH1A1 (0.37) HSD17B10TDP1ALDH1A1MAPTKMT2A
SCHEMBL10379315 0.71 HSD17B10 (0.41) HSD17B10TDP1ALDH1A1MAPTKMT2A

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
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