SCHEMBL9684748

SCHEMBL9684748

O=C(OCc1ccc([N+](=O)[O-])cc1)c1cc(Br)cc2c1C(=O)c1ccccc1-2

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.45
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 3/20 0.42
NPC1 O15118 2/20 0.42
LMNA P02545 2/20 0.42
KMT2A Q03164 1/20 0.41
PTPRC P08575 2/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
CES1 P23141 1/20 0.40
S100A4 P26447 1/20 0.40

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
SCHEMBL9684734 0.85 RAB9A (0.51) RAB9AL3MBTL1POLBSMN1; SMN2HTT
SCHEMBL10600006 0.76 RAB9A (0.81) RAB9AL3MBTL1POLBSMN1; SMN2HTT
SCHEMBL9684473 0.72 MAPT (0.54) HTTALDH1A1MAPTNPC1LMNA
SCHEMBL13986150 0.71 RAB9A (0.52) RAB9AL3MBTL1POLBSMN1; SMN2HTT
SCHEMBL19511831 0.71 RAB9A (0.57) RAB9AL3MBTL1POLBSMN1; SMN2HTT
SCHEMBL4358299 0.71 RAB9A (0.57) RAB9AL3MBTL1POLBHTTALDH1A1
SCHEMBL10490777 0.70 RAB9A (1.00) RAB9AL3MBTL1POLBSMN1; SMN2HTT
SCHEMBL20695012 0.70 RAB9A (0.60) RAB9AL3MBTL1POLBHTTALDH1A1
SCHEMBL30498648 0.70 RAB9A (0.71) RAB9AL3MBTL1HTTALDH1A1LMNA
SCHEMBL20582728 0.70 POLB (0.80) RAB9APOLBSMN1; SMN2HTTALDH1A1

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
US-5144028-A Antibiotics MERCK & CO., INC. (US) 1992-09-01 US disclosed
EP-0469844-A1 2-(9-fluorenonyl)-carbapenem MERCK & CO. INC. (US) 1992-02-05 EP disclosed
US-5025007-A 2-(9-fluorenonyl)-carbapenem antibacterial agents MERCK & CO., INC. (US) 1991-06-18 US disclosed