SCHEMBL4965365

SCHEMBL4965365

O=C(OCc1ccc([N+](=O)[O-])cc1)C1=CSC2CC(=O)N12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
ATM Q13315 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL6399327 1.00 TDP1 (0.47) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL6399324 1.00 TDP1 (0.47) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL9390114 0.83 ELANE (0.59) TDP1
SCHEMBL9390111 0.83 ELANE (0.59) TDP1
SCHEMBL9385789 0.83 ELANE (0.43)
SCHEMBL9385796 0.83 ELANE (0.43)
SCHEMBL9385650 0.83 ELANE (0.47)
SCHEMBL9385648 0.83 ELANE (0.47)
SCHEMBL9384795 0.82 ELANE (0.44)
SCHEMBL10832933 0.81 ALDH1A1 (0.43) TDP1ATMALDH1A1MAPTHPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1499622-A1 HETEROTRICYCLYL 6-ALKYLIDENE-PENEMS AS BETA-LACTAMASE INHIBITORS Wyeth (US) 2005-01-26 EP disclosed
WO-2003093280-A1 HETEROTRICYCLYL 6-ALKYLIDENE-PENEMS AS ΒΕΤΑ-LACTAMASE INHIBITORS WYETH (US) 2003-11-13 WO disclosed