SCHEMBL9103882

SCHEMBL9103882

O=S(=O)(O)CCCN1c2ccccc2Oc2c(Br)cccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.37
KMT2A Q03164 7/20 0.37
HDAC3 O15379 1/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
HDAC4 P56524 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
HDAC1 Q13547 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37
TUBA1A Q71U36 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37

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
SCHEMBL9102630 0.86 HDAC3 (0.40) MEN1KMT2AHDAC3TUBB4ATUBB
SCHEMBL182696 0.85 SIGMAR1 (0.46) MEN1KMT2AHDAC3TUBB4ATUBB
SCHEMBL31243457 0.85 SIGMAR1 (0.46) MEN1KMT2AHDAC3TUBB4ATUBB
SCHEMBL9100967 0.85 SIGMAR1 (0.38) MEN1KMT2AHDAC3TUBB4ATUBB
SCHEMBL9104779 0.85 DRD2 (0.39) MEN1KMT2AHDAC3TUBB4ATUBB
SCHEMBL9103557 0.84 MEN1 (0.39) MEN1KMT2AHDAC3TUBB4ATUBB
SCHEMBL9106500 0.84 SIGMAR1 (0.45) MEN1KMT2AHDAC3TUBB4ATUBB
SCHEMBL31461254 0.81 HDAC3 (0.45) MEN1KMT2AHDAC3TUBB4ATUBB
SCHEMBL183103 0.81 HDAC3 (0.45) MEN1KMT2AHDAC3TUBB4ATUBB
SCHEMBL9101949 0.81 SIGMAR1 (0.38) MEN1KMT2AHDAC3HDAC6SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8192948-B1 Chemifluorescent substrate for peroxide and peroxidase detection PIERCE BIOTECHNOLOGY, INC. (US) 2012-06-05 US disclosed
EP-0361470-B1 Method for the chemiluminescence assay of the activity of peroxidase FUJIREBIO KK (JP) 1993-12-22 EP disclosed
US-5171668-A Measuring light emitted from contacting (iso)luminol, peroxide, peroxidase activity enhancer, such as indoanilines, phenolindophenol and N-methylphenothiazine, with labeled peroxidase antibody-antigen complex FUJIREBIO INC. (JP) 1992-12-15 US disclosed
EP-0361470-A2 Method for the chemiluminescence assay of the activity of peroxidase FUJIREBIO INC. (JP) 1990-04-04 EP disclosed