SCHEMBL9104489

SCHEMBL9104489

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 14/20 0.43
P2RX1 P51575 2/20 0.41
P2RX3 P56373 1/20 0.35
KDM4E B2RXH2 2/20 0.34
GLA P06280 1/20 0.34
CACNA1B Q00975 2/20 0.34
POLB P06746 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL9104487 0.97 P2RX4 (0.41) P2RX4P2RX1P2RX3KDM4EGLA
SCHEMBL9106168 0.88 P2RX4 (0.43) P2RX4P2RX1KDM4E
SCHEMBL9103621 0.88 P2RX4 (0.43) P2RX4P2RX1KDM4E
SCHEMBL9102754 0.87 PIM1 (0.44) P2RX4
SCHEMBL9099192 0.87 AHR (0.39) P2RX4P2RX1KDM4EPOLB
SCHEMBL9106581 0.87 PIM1 (0.39) P2RX4P2RX1
SCHEMBL9106662 0.87 P2RX4 (0.35) P2RX4P2RX1P2RX3KDM4EHDAC3
SCHEMBL9104785 0.87 AHR (0.38) P2RX4P2RX1KDM4E
SCHEMBL9101909 0.87 AHR (0.39) P2RX4P2RX1KDM4EPOLB
SCHEMBL9103987 0.87 P2RX4 (0.35) P2RX4P2RX1P2RX3KDM4EHDAC3

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