SCHEMBL9641587

SCHEMBL9641587

O=C1CC(=O)c2cc(F)ccc2O1.O=[N+]([O-])c1ccccc1I

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.37
▸ RECQL P46063 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ ATM Q13315 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ HSPB1 P04792 1/20 0.34
▸ ALDH1A1 P00352 5/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ KCNMA1 Q12791 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ HSD11B1 P28845 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ GFER P55789 1/20 0.32
▸ HTT P42858 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ MITF O75030 1/20 0.31
▸ LMNA P02545 1/20 0.31

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
SCHEMBL9642303 0.86 GABRA1 (0.41) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL9640717 0.86 MAPT (0.37) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL9642273 0.85 MAPT (0.46) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL9641097 0.83 ALDH1A1 (0.44) MAPTKMT2ATDP1ALDH1A1MAPK1
SCHEMBL1987511 0.79 FABP6 (0.42) KMT2ACYP19A1SMN1; SMN2MAOBCYP1A2
SCHEMBL9641143 0.77 CYP19A1 (0.33) CYP19A1HSD11B1MAOB
SCHEMBL9641553 0.73 MAPT (0.44) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL11577362 0.69 MEN1 (0.45) MAPTKMT2AHSPB1ALDH1A1POLB
SCHEMBL10379786 0.68 HSD17B10 (0.54) RECQLKMT2ATDP1ALDH1A1MAPK1
SCHEMBL25105 0.68 HSD17B10 (0.54) RECQLKMT2ATDP1ALDH1A1MAPK1

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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