SCHEMBL9641553

SCHEMBL9641553

Cc1cccc2c1OC(=O)CC2=O.O=[N+]([O-])c1ccccc1I

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ RECQL P46063 1/20 0.44
▸ MCL1 Q07820 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.41
▸ LMNA P02545 1/20 0.39
▸ TSHR P16473 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MGAM O43451 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ SI P14410 1/20 0.36
▸ MGAM2 Q2M2H8 1/20 0.36
▸ S100A4 P26447 2/20 0.36
▸ PTPRC P08575 1/20 0.36
▸ TDP1 Q9NUW8 5/20 0.36
▸ MAOB P27338 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ KLK3 P07288 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34

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
SCHEMBL9642273 0.81 MAPT (0.46) MAPTKMT2ARECQLMCL1RXFP1
SCHEMBL9641947 0.74 HSD17B10 (0.39) MAPTKMT2ARECQLMCL1RXFP1
SCHEMBL9641587 0.73 MAPT (0.37) MAPTKMT2ARECQLMCL1RXFP1
SCHEMBL9642303 0.73 GABRA1 (0.41) MAPTKMT2ARECQLMCL1RXFP1
SCHEMBL9640717 0.73 MAPT (0.37) MAPTKMT2ARECQLMCL1RXFP1
SCHEMBL9641097 0.73 ALDH1A1 (0.44) MAPTKMT2AHSD17B10TSHRSMN1; SMN2
SCHEMBL18933883 0.70 HSD17B10 (0.56) MAPTKMT2ARECQLMCL1RXFP1
SCHEMBL10379786 0.69 HSD17B10 (0.54) KMT2ARECQLHSD17B10LMNATSHR
SCHEMBL25105 0.69 HSD17B10 (0.54) KMT2ARECQLHSD17B10LMNATSHR
SCHEMBL28554564 0.69 HSD17B10 (0.54) KMT2ARECQLHSD17B10LMNATSHR

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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