SCHEMBL9839615

SCHEMBL9839615

COCCc1cc(O)ccc1N1C(=O)C=CC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 6/20 0.42
TLR9 Q9NR96 2/20 0.41
G6PD P11413 1/20 0.41
HSP90AA1 P07900 2/20 0.39
PKM P14618 2/20 0.39
MAPK1 P28482 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
CCR6 P51684 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
HSD17B3 P37058 1/20 0.35
ESR1 P03372 3/20 0.35
ESR2 Q92731 1/20 0.34
SPR P35270 1/20 0.34
HSD17B10 Q99714 2/20 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
SCHEMBL9837583 0.83 MGLL (0.50) MGLLTLR9G6PDHSP90AA1PKM
SCHEMBL30474621 0.81 MGLL (0.59) MGLLTLR9G6PDHSP90AA1PKM
SCHEMBL9838914 0.81 MGLL (0.59) MGLLTLR9G6PDHSP90AA1PKM
SCHEMBL9838844 0.81 TYR (0.50) MGLLTLR9G6PDHSP90AA1PKM
SCHEMBL9837865 0.73 TLR9 (0.68) MGLLTLR9G6PDHSP90AA1PKM
SCHEMBL6941560 0.72 ALDH1A1 (0.51) ALDH1A1HSD17B10TP53CYP1A2CYP3A4
Acrylonitrile SCHEMBL29033301 0.71 MGLL (0.47) MGLLTLR9G6PDHSP90AA1PKM
SCHEMBL3869199 0.71 ESR1 (0.62) MGLLTLR9G6PDHSP90AA1PKM
SCHEMBL30474623 0.71 ESR1 (0.62) MGLLTLR9G6PDHSP90AA1PKM
SCHEMBL9839202 0.71 TLR9 (0.44) MGLLTLR9G6PDHSP90AA1PKM

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-5075453-A Process for producing aryloxy-substituted phosphazene derivatives NIPPON SODA CO., LTD. (JP) 1991-12-24 US disclosed