SCHEMBL9106479

SCHEMBL9106479

CCCc1cccnc1-c1cccc2c1N(C(CC)S(=O)(=O)O)c1ccccc1O2

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
CHRM1 P11229 1/20 0.31
P2RX4 Q99571 2/20 0.31
P2RX1 P51575 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL9101857 0.94 APLNR (0.32) TP53CHRM1
SCHEMBL9104679 0.93 TP53 (0.33) TP53CHRM1P2RX4P2RX1MEN1
SCHEMBL9103542 0.87 TP53 (0.33) TP53P2RX4MEN1KMT2A
SCHEMBL9100362 0.87 TP53 (0.33) TP53P2RX4MEN1KMT2A
SCHEMBL9102596 0.87 MEN1 (0.33) TP53HDAC3HDAC6P2RX4MEN1
SCHEMBL9104011 0.86 HDAC3 (0.31) HDAC3HDAC6P2RX4P2RX1
SCHEMBL9102980 0.85 P2RX4 (0.39) HDAC3HDAC6P2RX4P2RX1
SCHEMBL9102715 0.84 HDAC6 (0.35) HDAC3HDAC6KMT2A
SCHEMBL9103943 0.84 CHRM1 (0.32) HDAC3HDAC6CHRM1P2RX4P2RX1
SCHEMBL9103600 0.83 CHRM1 (0.31) CHRM1

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