SCHEMBL9104487

SCHEMBL9104487

CCCS(=O)(=O)ON1c2ccccc2Oc2ccccc21.[NaH]

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 14/20 0.41
P2RX1 P51575 2/20 0.41
P2RX3 P56373 1/20 0.35
KDM4E B2RXH2 2/20 0.34
GLA P06280 1/20 0.34
POLB P06746 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.32
APAF1 O14727 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL9104489 0.97 P2RX4 (0.43) P2RX4P2RX1P2RX3KDM4EGLA
SCHEMBL9106168 0.88 P2RX4 (0.43) P2RX4P2RX1KDM4EMAPTKMT2A
SCHEMBL9103621 0.88 P2RX4 (0.43) P2RX4P2RX1KDM4EMAPTSMN1; SMN2
SCHEMBL9106662 0.87 P2RX4 (0.35) P2RX4P2RX1P2RX3KDM4EHDAC3
SCHEMBL9103987 0.87 P2RX4 (0.35) P2RX4P2RX1P2RX3KDM4EHDAC3
SCHEMBL9102754 0.87 PIM1 (0.44) P2RX4MAPTMEN1KMT2A
SCHEMBL9099192 0.87 AHR (0.39) P2RX4P2RX1KDM4EPOLBMAPT
SCHEMBL9101909 0.87 AHR (0.39) P2RX4P2RX1KDM4EPOLBMAPT
SCHEMBL9106581 0.87 PIM1 (0.39) P2RX4P2RX1MEN1KMT2A
SCHEMBL9104365 0.86 P2RX4 (0.38) P2RX4P2RX1P2RX3MAPTSMN1; SMN2

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-8192948-B1 Chemifluorescent substrate for peroxide and peroxidase detection PIERCE BIOTECHNOLOGY, INC. (US) 2012-06-05 US disclosed