SCHEMBL8204033

SCHEMBL8204033

NC(=O)c1ccc(C(=O)N2c3ccccc32)c(S(=O)(=O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.39
HSD17B3 P37058 1/20 0.39
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PARP1 P09874 2/20 0.36
ACLY P53396 1/20 0.36
P2RX4 Q99571 1/20 0.35
CTRB1 P17538 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
BCHE P06276 3/20 0.34

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
SCHEMBL359496 0.80 CA2 (0.42) MAPK1SMN1; SMN2PARP1ACLYTSHR
SCHEMBL249609 0.79 SMN1; SMN2 (0.39) MAPK1SMN1; SMN2PARP1ACLYTSHR
SCHEMBL245823 0.74 SMN1; SMN2 (0.35) MAPK1SMN1; SMN2PARP1HSD17B10KMT2A
SCHEMBL277339 0.72 P2RX4 (0.54) PARP1P2RX4L3MBTL1MAPTPOLB
SCHEMBL28881466 0.72 P2RX4 (0.54) PARP1P2RX4L3MBTL1MAPTPOLB
SCHEMBL27780509 0.72 BCHE (0.60) P2RX4CTRB1TSHRBCHEACHE
SCHEMBL847770 0.72 BCHE (0.50) PARP1P2RX4L3MBTL1MAPTPOLB
SCHEMBL1755175 0.70 CDC25B (0.55) MAPK1SMN1; SMN2PARP1TSHRHSD17B10
SCHEMBL15088030 0.69 CA2 (0.39) SMN1; SMN2MAPT
SCHEMBL7563143 0.69 NPC1 (0.50) MYCMAPK1P2RX4MAPTTSHR

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-6096453-A Polymeric thin-film reversible electrochemical charge storage devices ADVEN POLYMERS, INC. (US) 2000-08-01 US claimed