SCHEMBL9749290

SCHEMBL9749290

O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHBP P24387 1/20 0.61
▸ CRHR2 Q13324 1/20 0.61
▸ ALDH1A1 P00352 6/20 0.52
▸ KMT2A Q03164 5/20 0.52
▸ MEN1 O00255 4/20 0.52
▸ MAPT P10636 3/20 0.52
▸ LMNA P02545 3/20 0.52
▸ PKM P14618 2/20 0.52
▸ TDP1 Q9NUW8 2/20 0.51
▸ SLC25A1 P53007 1/20 0.49
▸ NHERF1 O14745 1/20 0.49
▸ MCL1 Q07820 1/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ CA12 O43570 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ HPGD P15428 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ ALOX5 P09917 1/20 0.47
▸ MAPK1 P28482 2/20 0.47

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
SCHEMBL14061940 0.82 CA2 (0.69) CRHBPCRHR2ALDH1A1KMT2AMEN1
SCHEMBL10422318 0.82 SLC25A1 (0.66) CRHBPCRHR2ALDH1A1KMT2AMEN1
SCHEMBL10422313 0.81 NHERF1 (0.55) CRHBPCRHR2ALDH1A1KMT2AMEN1
SCHEMBL9749499 0.78 CRHBP (0.52) CRHBPCRHR2ALDH1A1KMT2AMEN1
SCHEMBL5172845 0.78 NHERF1 (0.58) CRHBPCRHR2ALDH1A1KMT2AMEN1
SCHEMBL10422438 0.76 LMNA (0.58) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL8309888 0.76 CRHBP (1.00) CRHBPCRHR2ALDH1A1KMT2AMEN1
SCHEMBL8536389 0.75 NHERF1 (0.55) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL29859684 0.75 NHERF1 (0.55) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL10453008 0.75 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1LMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0205079-B1 ACID DISULFIMIDE TRIPHENODIOXAZINE DYES BAYER AG (DE) 1992-01-22 — — EP disclosed
EP-0255020-B1 WATER SOLUBLE TRIPHENODIOXAZINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1990-09-19 — — EP disclosed
US-4895954-A Dyeing wool, cellulose HOECHST AKTIENGESELLSCHAFT (DE) 1990-01-23 — — US disclosed
US-4816574-A FIBER-REACTIVE DYES FOR WOOL, CELLULOSE HOECHST AKTIENGESELLSCHAFT (DE) 1989-03-28 — — US disclosed
EP-0255020-A2 Water soluble triphenodioxazine compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1988-02-03 — — EP disclosed
EP-0205079-A2 Acid disulfimide triphenodioxazine dyes BAYER AG (DE) 1986-12-17 — — EP disclosed
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