SCHEMBL9640717

SCHEMBL9640717

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ RECQL P46063 2/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ MAPK1 P28482 3/20 0.35
▸ TSHR P16473 1/20 0.35
▸ PDE7A Q13946 2/20 0.35
▸ AR P10275 1/20 0.35
▸ HPGD P15428 3/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ PDE7B Q9NP56 1/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ HSD11B1 P28845 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ CYP2C9 P11712 1/20 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
SCHEMBL9642303 0.86 GABRA1 (0.41) MAPTKMT2ARECQLMCL1RXFP1
SCHEMBL9641587 0.86 MAPT (0.37) MAPTKMT2ARECQLMCL1RXFP1
SCHEMBL9642273 0.85 MAPT (0.46) MAPTKMT2ARECQLMCL1RXFP1
SCHEMBL9641097 0.83 ALDH1A1 (0.44) MAPTKMT2AMAPK1TSHRAR
SCHEMBL1988800 0.79 CYP2C9 (0.45) MAPTARHPGDL3MBTL1CYP2C9
SCHEMBL9641066 0.77 CYP2C9 (0.36) MAPTKMT2AARHPGDMEN1
SCHEMBL9641553 0.73 MAPT (0.44) MAPTKMT2ARECQLMCL1RXFP1
SCHEMBL10379786 0.68 HSD17B10 (0.54) KMT2ARECQLMAPK1TSHRHPGD
SCHEMBL25105 0.68 HSD17B10 (0.54) KMT2ARECQLMAPK1TSHRHPGD
SCHEMBL28554564 0.68 HSD17B10 (0.54) KMT2ARECQLMAPK1TSHRHPGD

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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