SCHEMBL9621972

SCHEMBL9621972

CCOCCOc1cc(-c2ccc(N)c(OCCOCC)c2)ccc1N

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.70
MEN1 O00255 4/20 0.70
KMT2A Q03164 4/20 0.70
HSD17B10 Q99714 2/20 0.70
KDM4E B2RXH2 2/20 0.70
POLB P06746 2/20 0.70
MAPT P10636 2/20 0.70
HPGD P15428 1/20 0.70
MAPK1 P28482 1/20 0.70
L3MBTL1 Q9Y468 1/20 0.70
TDP1 Q9NUW8 3/20 0.50
TSHR P16473 3/20 0.50
CYP3A4 P08684 2/20 0.50
ROCK2 O75116 1/20 0.47
NCF1 P14598 5/20 0.47
BCHE P06276 2/20 0.46
ACHE P22303 2/20 0.46
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL9664527 0.86 MAPT (0.50) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL1231708 0.84 MAPT (0.49) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL9069655 0.83 ALDH1A1 (0.71) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL136308 0.83 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL9073465 0.81 ALDH1A1 (0.69) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL9073879 0.81 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL9621578 0.80 ALDH1A1 (0.67) ALDH1A1MEN1KMT2AHSD17B10KDM4E
Hydrochloric Acid SCHEMBL9800188 0.80 ALDH1A1 (0.67) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL19744383 0.79 ALDH1A1 (0.65) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL6310846 0.78 ALDH1A1 (0.68) ALDH1A1KDM4EMAPTL3MBTL1TDP1

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-0199973-B1 PROCESS FOR THE PRODUCTION ON THE FIBRE OF WATER INSOLUBLE AZO DYES HOECHST AKTIENGESELLSCHAFT (DE) 1992-04-15 EP disclosed
US-4987221-A Bisdiazonium salts of 4,4'-diamino-3,3'-dialkoxybiphenyls and a process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1991-01-22 US disclosed
US-4696675-A Process for preparing water-insoluble blue azo dyes on the fiber: hydroxynaphthoic amide and diazotized di-alkoxy-benzidine HOECHST AKTIENGESELLSCHAFT (DE) 1987-09-29 US disclosed
EP-0199973-A2 Process for the production on the fibre of water insoluble azo dyes HOECHST AKTIENGESELLSCHAFT (DE) 1986-11-05 EP disclosed
EP-0196573-A2 Bis-diazonium salts of 4,4'-diamino-3,3'-dialkoxy-biphenylene, process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1986-10-08 EP disclosed
EP-0196023-A2 4,4'-Disazo compounds of 3,3'-dialkoxybiphenylene, process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1986-10-01 EP disclosed