SCHEMBL4667683

SCHEMBL4667683

O=C(OCc1ccc([N+](=O)[O-])cc1)C1=CCC2CCN12

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
KMT2A Q03164 1/20 0.46
HTT P42858 2/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
PAX8 Q06710 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41

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
SCHEMBL32679582 0.90 RAB9A (0.46) RAB9ANPC1KMT2AHTTALDH1A1
SCHEMBL11062255 0.81 TDP1 (0.47) RAB9ANPC1KMT2AHTTALDH1A1
SCHEMBL13424123 0.74 RAB9A (0.44) RAB9ANPC1KMT2AHTTALDH1A1
SCHEMBL11195764 0.73 RAB9A (0.45) RAB9ANPC1KMT2AHTTALDH1A1
SCHEMBL11115184 0.73 NPC1 (0.43) RAB9ANPC1KMT2AHTTALDH1A1
SCHEMBL4710601 0.72 HTT (0.41) RAB9AHTTALDH1A1MAPTHPGD
SCHEMBL11195753 0.72 RAB9A (0.42) RAB9ANPC1KMT2AHTTALDH1A1
SCHEMBL6208496 0.71 RAB9A (0.48) RAB9AHTTALDH1A1POLBSMN1; SMN2
SCHEMBL3991174 0.71 TDP1 (0.47) RAB9AALDH1A1MAPTHPGDPOLB
SCHEMBL32679563 0.71 CYP1A2 (0.50) KMT2AALDH1A1MAPTHPGDPOLB

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-1988093-A1 Bicyclic 6-alkylidene-penems as beta-lactamases inhibitors Wyeth a Corporation of the State of Delaware (US) 2008-11-05 EP disclosed
EP-1885357-A1 BICYCLIC 6-ALKYLIDENE-PENEMS AS CLASS-D BETA-LACTAMASES INHIBITORS Wyeth (US) 2008-02-13 EP disclosed
WO-2006130588-A1 BICYCLIC 6-ALKYLIDENE-PENEMS AS CLASS-D BETA-LACTAMASES INHIBITORS WYETH (US) 2006-12-07 WO disclosed