SCHEMBL7296876

SCHEMBL7296876

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

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
MAPT P10636 1/20 0.32
LMNA P02545 1/20 0.31

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) NPC1RAB9ASMN1; SMN2L3MBTL1MEN1
SCHEMBL7288952 0.88 TDP1 (0.33) NPC1RAB9ASMN1; SMN2L3MBTL1MEN1
SCHEMBL7299568 0.85 POLB (0.34) NPC1
SCHEMBL7292787 0.85 L3MBTL1 (0.35) L3MBTL1TDP1MAPT
SCHEMBL7288963 0.84 NPC1 (0.33) NPC1RAB9ASMN1; SMN2L3MBTL1TDP1
SCHEMBL7372112 0.83 NPC1 (0.32) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL7293126 0.83 MET (0.35) NPC1RAB9ASMN1; SMN2L3MBTL1MEN1
SCHEMBL7291488 0.81 CCNC (0.34) SMN1; SMN2TDP1MAPTLMNA
SCHEMBL7315149 0.81 L3MBTL1 (0.35) NPC1RAB9ASMN1; SMN2L3MBTL1MEN1
SCHEMBL7292141 0.80 CCNC (0.30)

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