SCHEMBL2213952

SCHEMBL2213952

O=C(O)c1cccc([N+](=O)[O-])c1SSc1c(C(=O)O)cccc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.62
DTYMK P23919 1/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
GAA P10253 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GPR35 Q9HC97 2/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
DNA2 P51530 1/20 0.47
CASP6 P55212 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
CTSD P07339 1/20 0.45
POLB P06746 2/20 0.44
APEX1 P27695 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL21802325 0.86 TSHR (0.58) TSHRDTYMKALDH1A1MAPTKDM4E
SCHEMBL2762222 0.82 TSHR (0.54) TSHRDTYMKALDH1A1MAPTKDM4E
SCHEMBL9657224 0.81 TSHR (0.53) TSHRDTYMKALDH1A1MAPTKDM4E
SCHEMBL9087640 0.80 TSHR (0.51) TSHRALDH1A1MAPTKDM4EMEN1
SCHEMBL8610738 0.79 TSHR (0.68) TSHRDTYMKALDH1A1MAPTKDM4E
SCHEMBL3671 0.79 TSHR (0.68) TSHRDTYMKALDH1A1MAPTKDM4E
SCHEMBL30893562 0.79 TSHR (0.68) TSHRDTYMKALDH1A1MAPTKDM4E
SCHEMBL29471725 0.79 TSHR (0.68) TSHRDTYMKALDH1A1MAPTKDM4E
SCHEMBL29696138 0.79 TSHR (0.67) TSHRDTYMKALDH1A1MAPTKDM4E
SCHEMBL30727560 0.79 TSHR (0.67) TSHRDTYMKALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0590067-A1 MICROBIALLY-PRODUCED ANTIBODY FRAGMENTS AND THEIR CONJUGATES Xoma Corporation (US) 1994-04-06 EP claimed
WO-1992022324-A1 MICROBIALLY-PRODUCED ANTIBODY FRAGMENTS AND THEIR CONJUGATES XOMA CORPORATION (US) 1992-12-23 WO claimed
EP-0017751-A1 Process for the production of graft copolymers of polyphenylene oxides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-10-29 EP claimed
WO-2024196901-A2 A HIGH THROUGHPUT ION-SENSING METHOD WHITESIDES GEORGE M (US) 2024-09-26 WO disclosed
US-11401407-B2 Resin composition and multilayered structure using same MITSUBISHI CHEMICAL CORPORATION (JP) 2022-08-02 US disclosed
EP-1876873-B1 PROCESS FOR PRODUCING DOUBLE-SIDED FLEXIBLE PRINTED BOARD AND DOUBLE-SIDED FLEXIBLE PRINTED BOARD NIPPON KAYAKU KK (JP) 2011-07-27 EP disclosed
US-20090056982-A1 Process for producing a double-sided flexible printed board and double-sided flexible printed board NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-03-05 US disclosed
EP-1876873-A1 PROCESS FOR PRODUCING DOUBLE-SIDED FLEXIBLE PRINTED BOARD AND DOUBLE-SIDED FLEXIBLE PRINTED BOARD Nippon Kayaku Kabushiki Kaisha (JP) 2008-01-09 EP disclosed
EP-0590067-A1 MICROBIALLY-PRODUCED ANTIBODY FRAGMENTS AND THEIR CONJUGATES Xoma Corporation (US) 1994-04-06 EP disclosed
US-5238838-A Hydrolysis catalysts converting L-carnitine amide to L-carnitine; stereospecific DEGUSSA AKTIENGESELLSCHAFT (DE) 1993-08-24 US disclosed
WO-1992022324-A1 MICROBIALLY-PRODUCED ANTIBODY FRAGMENTS AND THEIR CONJUGATES XOMA CORPORATION (US) 1992-12-23 WO disclosed
EP-0501292-A1 A L-carnitine-amidase producing microorganism, L-carnitine-amidase, method of production and use Degussa Aktiengesellschaft (DE) 1992-09-02 EP disclosed
EP-0277970-A4 MONOCLONAL ANTIBODY AGAINST OVARIAN CANCER CELLS (OVB-3). PASTAN IRA (US) 1988-10-20 EP disclosed
EP-0277970-A1 MONOCLONAL ANTIBODY AGAINST OVARIAN CANCER CELLS (OVB-3) Pastan, Ira (US) 1988-08-17 EP disclosed
WO-1988000703-A1 MONOCLONAL ANTIBODY AGAINST OVARIAN CANCER CELLS (OVB-3) PASTAN IRA (US) 1988-01-28 WO disclosed
EP-0017751-A1 Process for the production of graft copolymers of polyphenylene oxides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-10-29 EP disclosed