SCHEMBL9506415

SCHEMBL9506415

C=CCN(CC=C)c1nnc(N)s1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
GAA P10253 2/20 0.52
GLS O94925 2/20 0.34
POLB P06746 2/20 0.32
FBP1 P09467 1/20 0.31

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
SCHEMBL5486471 0.69 ALDH1A1 (0.53) ALDH1A1GAAGLSPOLBFBP1
SCHEMBL10989679 0.69 ALDH1A1 (0.53) ALDH1A1GAAGLSPOLB
SCHEMBL10994029 0.68 ALDH1A1 (1.00) ALDH1A1GAAGLSPOLB
SCHEMBL11032530 0.65 ALDH1A1 (0.53) ALDH1A1GAAGLSPOLB
SCHEMBL5174078 0.64 ALDH1A1 (0.51) ALDH1A1GAAGLSPOLB
SCHEMBL2517414 0.64
SCHEMBL10995420 0.64
SCHEMBL8840202 0.64 TSHR (0.49) FBP1
SCHEMBL10992493 0.63 ALDH1A1 (0.50) ALDH1A1GAAGLSPOLB
SCHEMBL65180 0.60

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0272212-B1 PROCESS FOR CONTINUALLY PRODUCING AZO OR HYDRAZONE DYES CIBA-GEIGY AG (CH) 1993-09-01 EP claimed
US-4925926-A Preparation of cationic azo or hydrazone dyes in which the alkylation and the separation of the cationic dye are carried out continuously CIBA-GEIGY CORPORATION (US) 1990-05-15 US claimed
EP-0272212-A2 Process for continually producing azo or hydrazone dyes CIBA-GEIGY AG (CH) 1988-06-22 EP claimed
US-4500715-A CHEMICAL INTERMEDIATES FOR PLANT SAFENING AGENTS AND DYES BAYER AKTIENGESELLSCHAFT (DE) 1985-02-19 US disclosed
US-4268438-A Cationic 1,3,4-thiadiazole dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1981-05-19 US disclosed