SCHEMBL27410611

SCHEMBL27410611

Cc1cccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHBP P24387 2/20 0.60
▸ CRHR2 Q13324 2/20 0.60
▸ NHERF1 O14745 1/20 0.58
▸ MCL1 Q07820 2/20 0.55
▸ IDH1 O75874 3/20 0.50
▸ NFKBIA P25963 1/20 0.47
▸ RELA Q04206 1/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ MEN1 O00255 5/20 0.46
▸ KMT2A Q03164 5/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ LMNA P02545 4/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ MAPT P10636 5/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ THRB P10828 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
SCHEMBL10825507 0.81 MCL1 (0.60) CRHBPCRHR2NHERF1MCL1IDH1
SCHEMBL10825800 0.80 CRHBP (0.65) CRHBPCRHR2NHERF1MCL1IDH1
SCHEMBL10529391 0.78 CRHBP (0.67) CRHBPCRHR2NHERF1MCL1IDH1
SCHEMBL9515445 0.78 CRHBP (0.74) CRHBPCRHR2NHERF1MCL1NFKBIA
SCHEMBL15821362 0.77 L3MBTL1 (0.55) CRHBPCRHR2NHERF1MCL1NFKBIA
SCHEMBL3376788 0.77 CRHBP (0.78) CRHBPCRHR2NHERF1MCL1MEN1
SCHEMBL10529379 0.77 CRHBP (0.82) CRHBPCRHR2NFKBIARELAMEN1
SCHEMBL15647549 0.77 NFKBIA (0.61) CRHBPCRHR2NHERF1MCL1IDH1
SCHEMBL8309888 0.76 CRHBP (1.00) CRHBPCRHR2NHERF1SMN1; SMN2MEN1
SCHEMBL30680186 0.76 CRHBP (0.67) CRHBPCRHR2NHERF1MCL1IDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1121399-C Isothiazolcarboxylic acid derivatives BAYER AG (DE) 2003-09-17 — — CN disclosed
CN-1121401-C aminophenol derivatives BAYER AG (DE) 2003-09-17 — — CN disclosed
CN-1101394-C Sulfonyloxadiazolones and their use as microbicides BAYER AG (DE) 2003-02-12 — — CN disclosed
CN-1278804-A Isothiazolecarboxylic acid derivatives BAYER AG (DE) 2001-01-03 — — CN disclosed
CN-1275980-A Microbicide 1,4,2-dioxacine derivatives BAYER AG (DE) 2000-12-06 — — CN disclosed
CN-1252801-A Sulfonyl oxadiazolones and their use as microbicides BAYER AG (DE) 2000-05-10 — — CN disclosed
CN-1240439-A Aminophenol derivates with fungicidal property BAYER AG (DE) 2000-01-05 — — CN disclosed
Send feedback