SCHEMBL4710601

SCHEMBL4710601

O=C(OCc1ccc([N+](=O)[O-])cc1)S1=CCC2CCN21

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
ATM Q13315 1/20 0.40
HPGD P15428 1/20 0.40
LMNA P02545 1/20 0.40
IDO1 P14902 1/20 0.40
AKR1C3 P42330 1/20 0.39
HTR2A P28223 1/20 0.39
GBA1 P04062 1/20 0.39

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
SCHEMBL4667683 0.72 RAB9A (0.46) HTTTDP1RAB9AALDH1A1MAPT
SCHEMBL3991174 0.71 TDP1 (0.47) TDP1RAB9AALDH1A1MAPTATM
SCHEMBL6141087 0.70 TDP1 (0.59) TDP1RAB9AALDH1A1MAPTATM
SCHEMBL10465292 0.70 MAOB (0.56) HTTRAB9AALDH1A1MAPTIDO1
SCHEMBL5724018 0.69 SMN1; SMN2 (0.51) TDP1RAB9AALDH1A1MAPTLMNA
SCHEMBL11099610 0.69 IDO1 (0.58) HTTRAB9AALDH1A1MAPTIDO1
SCHEMBL32679582 0.69 RAB9A (0.46) HTTTDP1RAB9AALDH1A1MAPT
SCHEMBL37664 0.69 HTR2A (0.62) HTTRAB9AALDH1A1IDO1AKR1C3
SCHEMBL6398890 0.69 TDP1 (0.49) HTTTDP1RAB9AALDH1A1MAPT
SCHEMBL5723654 0.69 TDP1 (0.52) HTTTDP1RAB9AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1885358-A2 TRICYCLIC 6-ALKYLIDENE-PENEMS AS CLASS-D ß-LACTAMASES INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2008-02-13 EP disclosed
WO-2007030166-A2 TRICYCLIC 6-ALKYLIDENE-PENEMS AS CLASS-D β-LACTAMASES INHIBITORS WYETH (US) 2007-03-15 WO disclosed