SCHEMBL11068617

SCHEMBL11068617

O=[N+]([O-])c1ccc(OC2CCCO2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.48
KDM4E B2RXH2 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
HPGD P15428 1/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 2/20 0.40
HSPB1 P04792 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 1/20 0.39
SLC18A3 Q16572 1/20 0.39

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
SCHEMBL4095108 0.95 HTT (0.44) HTTKDM4ECES2CES1CYP1A2
SCHEMBL16021495 0.95 HTT (0.44) HTTKDM4ECES2CES1CYP1A2
SCHEMBL31357139 0.92 CES2 (0.46) HTTCES2CES1POLBLMNA
SCHEMBL27006326 0.84 KMT2A (0.54) HTTCYP1A2CYP2D6HPGDPOLB
SCHEMBL1025068 0.79 SLC6A2 (0.52) POLBLMNAALDH1A1
SCHEMBL11068614 0.78 KDM4E (0.49) HTTKDM4ECYP1A2CYP2D6HPGD
SCHEMBL3500438 0.77 TNK2 (0.44) KDM4EHPGDPOLBLMNAKMT2A
SCHEMBL2367956 0.76 MEN1 (0.56) HTTKDM4EMAPTKMT2AALDH1A1
SCHEMBL1157242 0.76 PDE4B (0.50) HTTLMNAKMT2AALDH1A1MEN1
SCHEMBL15214979 0.75 ALDH1A1 (0.41) KDM4EHPGDPOLBLMNAMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4447605-A Di(tri-lower alkylstannyl)pyrimidine derivative and a process for producing the same RIKAGAKU KENKYUSHO (JP) 1984-05-08 US disclosed
US-4324895-A REACTION BETWEEN BIS(TRI-LOWER ALKYLSTANNYL)-5-HALOGENOURACIL AND 2-SUBSTITUTED TETRAHYDROFURAN RIKAGAKU KENKYUSHO (JP) 1982-04-13 US disclosed
US-4297129-A HERBICIDES; WILD OATS; NONPHYTOTOXIC SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-10-27 US disclosed