SCHEMBL7299144

SCHEMBL7299144

CC1(C)C=C(n2cc([N+](=O)[O-])ccc2=O)c2ncccc2O1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.37
TDP1 Q9NUW8 3/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
KMT2A Q03164 1/20 0.35
KAT2B Q92831 1/20 0.32
GSK3B P49841 1/20 0.31
TDP2 O95551 1/20 0.31
MAPK1 P28482 1/20 0.31
PDE4D Q08499 1/20 0.31
SLC11A2 P49281 1/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL7292773 0.84 L3MBTL1 (0.35) L3MBTL1TDP1MAPTMEN1CYP1A2
SCHEMBL7292787 0.83 L3MBTL1 (0.35) L3MBTL1TDP1MAPTKAT2BPDE4D
SCHEMBL7315149 0.83 L3MBTL1 (0.35) L3MBTL1TDP1MAPTMEN1KMT2A
SCHEMBL7298804 0.83 NPC1 (0.32) NPC1
SCHEMBL7375797 0.83 NPC1 (0.32) NPC1
SCHEMBL7292898 0.83 NPC1 (0.34) NPC1
SCHEMBL7297727 0.82 TDP1 (0.37) L3MBTL1TDP1MAPTMEN1CYP1A2
SCHEMBL7298944 0.80 NPC1 (0.37) TDP1MEN1KMT2AGSK3BNPC1
SCHEMBL7293126 0.79 MET (0.35) L3MBTL1TDP1MAPTMEN1CYP1A2
SCHEMBL7300272 0.79 NPC1 (0.33) CYP1A2NPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0308792-B1 AZACHROMANE DERIVATIVES MERCK PATENT GmbH (DE) 1993-07-28 EP disclosed
US-4931454-A Azachroman derivatives with effects on the cardiovascular system MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-06-05 US disclosed
EP-0308792-A2 Azachromane derivatives MERCK PATENT GmbH (DE) 1989-03-29 EP disclosed