SCHEMBL7793793

SCHEMBL7793793

CC(=O)c1cccc2ccc[c]c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.37
MAOA P21397 1/20 0.37
KDM4E B2RXH2 3/20 0.35
CA12 O43570 1/20 0.35
CYP1A2 P05177 1/20 0.35
NT5E P21589 1/20 0.35
CA9 Q16790 1/20 0.35
PARP1 P09874 1/20 0.35
NR4A1 P22736 1/20 0.34
NR4A2 P43354 1/20 0.34
NR4A3 Q92570 1/20 0.34
PLK1 P53350 1/20 0.34
HSD17B10 Q99714 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL2206060 0.82 NR4A1 (0.48) KDM4ECA12CA9NR4A1NR4A2
SCHEMBL4292765 0.81 PARP1 (0.46) KDM4EPARP1HSD17B10KMT2AMEN1
SCHEMBL7298420 0.75 ALDH1A1 (0.40) MAOBMAOAKDM4ECA12CYP1A2
SCHEMBL3063032 0.74 KDM4E (0.35) KDM4ECA12CA9THRBKMT2A
SCHEMBL4372772 0.74 PBRM1 (0.37) KDM4EHSD17B10THRBKMT2AMEN1
SCHEMBL14661019 0.72 CES2 (0.35) MAOBMAOAKDM4ECA12CYP1A2
SCHEMBL4281712 0.72 KMT2A (0.38) KDM4ECA12CA9KMT2AMEN1
SCHEMBL6975365 0.72 KDM4E (0.34) MAOAKDM4ECA12CA9THRB
SCHEMBL4651746 0.72 BRD4 (0.37) KDM4EHSD17B10THRBKMT2AMEN1
SCHEMBL7793783 0.72 KDM4E (0.42) KDM4ENR4A1NR4A2NR4A3PLK1

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
EP-1155698-A1 ORGANOBORON COMPOUNDS EXHIBITING ANTICOCCIDIAL ACTIVITIES Nitto Kasei Co., Ltd. (JP) 2001-11-21 EP disclosed