SCHEMBL7986358

SCHEMBL7986358

CCCC(=O)Oc1cn2cc([N+](=O)[O-])ccc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.54
CTNNB1 P35222 1/20 0.54
RAB9A P51151 5/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
ALDH1A1 P00352 4/20 0.47
LMNA P02545 3/20 0.47
GAA P10253 3/20 0.47
NPC1 O15118 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
POLB P06746 1/20 0.47
STAT3 P40763 1/20 0.47
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
MAPT P10636 7/20 0.44
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
APP P05067 1/20 0.44
CYP1A2 P05177 2/20 0.41
TSPO P30536 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
SCHEMBL16686872 0.83 RAB9A (0.50) RAB9ASMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL7982712 0.80 BCL9 (0.34) BCL9CTNNB1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7980862 0.76 PTGS1 (0.47) RAB9ASMN1; SMN2ALDH1A1LMNANPC1
SCHEMBL3776760 0.73 KDM4E (0.59) RAB9ASMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL7986364 0.73 RAB9A (0.50) RAB9ASMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL133257 0.71 BCL9 (1.00) BCL9CTNNB1RAB9ASMN1; SMN2ALDH1A1
Bromide SCHEMBL4477714 0.71 RAB9A (0.53) RAB9ASMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL18883276 0.71 ALDH1A1 (0.56) RAB9ASMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL4469728 0.70 RAB9A (0.52) RAB9ASMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL21001635 0.70 ALDH1A1 (0.52) RAB9ASMN1; SMN2ALDH1A1LMNAGAA

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-6174877-B1 EXCELLANT BACTERICIDES, ORAL ABSORBABILITY AND STABILITY; IMPROVE THE STABILITY TO RENAL DEHYDROPEPTIDASE I (DHP-I); 2-(2-(N-HETEROCYCLIC-ETHYLTHIO-) DERIVATIVES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-16 US disclosed
EP-0876370-A1 CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1998-11-11 EP disclosed
WO-1997025325-A1 CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-07-17 WO disclosed