SCHEMBL7315149

SCHEMBL7315149

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.35
TDP1 Q9NUW8 3/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE7A Q13946 1/20 0.33
ALDH1A1 P00352 2/20 0.31
TP53 P04637 1/20 0.31
PDE4D Q08499 2/20 0.31
HTT P42858 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KAT2B Q92831 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
KDM4E B2RXH2 2/20 0.30
LMNA P02545 2/20 0.30
ALOX12 P18054 2/20 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 0.89 L3MBTL1 (0.35) L3MBTL1TDP1MAPTMEN1KMT2A
SCHEMBL7292787 0.88 L3MBTL1 (0.35) L3MBTL1TDP1MAPTPDE4DHTT
SCHEMBL7292149 0.86 TNKS (0.31) NPC1
SCHEMBL7288952 0.85 TDP1 (0.33) L3MBTL1TDP1MAPTMEN1KMT2A
SCHEMBL7300599 0.84
SCHEMBL7290947 0.84 MAPT (0.34) L3MBTL1TDP1MAPTMEN1KMT2A
SCHEMBL7299144 0.83 L3MBTL1 (0.37) L3MBTL1TDP1MAPTMEN1KMT2A
SCHEMBL7296876 0.81 NPC1 (0.33) L3MBTL1TDP1MAPTMEN1KMT2A
SCHEMBL7300724 0.80 PDE4B (0.32) L3MBTL1MAPTMEN1KMT2APDE7A
SCHEMBL7299853 0.80 CCNC (0.34) MAPTMEN1KMT2APDE7AALDH1A1

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