SCHEMBL7288952

SCHEMBL7288952

CC1(C)C=C(n2cc(Cl)cc([N+](=O)[O-])c2=O)c2ncccc2O1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.33
MEN1 O00255 6/20 0.32
KMT2A Q03164 6/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
POLB P06746 2/20 0.32
PDE7A Q13946 2/20 0.32
SLC5A2 P31639 1/20 0.32
MAPT P10636 5/20 0.32
GFER P55789 1/20 0.32
ALDH1A1 P00352 6/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
PKM P14618 3/20 0.31
KDM4E B2RXH2 2/20 0.31
HTT P42858 2/20 0.31
LMNA P02545 1/20 0.31
HSP90AA1 P07900 1/20 0.31
OPRK1 P41145 1/20 0.31
HPGD P15428 1/20 0.31
NPC1 O15118 1/20 0.30
NFKB1 P19838 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 0.90 L3MBTL1 (0.35) TDP1MEN1KMT2AL3MBTL1MAPT
SCHEMBL7296876 0.88 NPC1 (0.33) TDP1MEN1KMT2AL3MBTL1MAPT
SCHEMBL7292149 0.85 TNKS (0.31) NPC1
SCHEMBL7315149 0.85 L3MBTL1 (0.35) TDP1MEN1KMT2AL3MBTL1PDE7A
SCHEMBL7300527 0.84 TDP1 (0.33) TDP1MEN1KMT2AL3MBTL1POLB
SCHEMBL7300229 0.83 NR4A2 (0.31)
SCHEMBL7293126 0.83 MET (0.35) TDP1MEN1KMT2AL3MBTL1POLB
SCHEMBL7290570 0.81 CHUK (0.34) PDE7ARAB9A
SCHEMBL7292787 0.81 L3MBTL1 (0.35) TDP1L3MBTL1POLBMAPTHTT
SCHEMBL7289644 0.80 CHUK (0.34) PDE7ARAB9A

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