SCHEMBL10785228

SCHEMBL10785228

C=CCNC(=C[N+](=O)[O-])NCCCSCc1csc(CN)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.55
▸ HRH2 P25021 4/20 0.32
▸ LMNA P02545 3/20 0.32
▸ TSHR P16473 3/20 0.32
▸ SLC47A1 Q96FL8 3/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ SLC22A1 O15245 1/20 0.32
▸ ABCB11 O95342 1/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ ADRA2C P18825 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ CHRM3 P20309 1/20 0.32
▸ ATP4A P20648 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ ATP4B P51164 1/20 0.32

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
SCHEMBL10781928 0.88 ACHE (0.72) ACHEHRH2LMNATSHRSLC47A1
SCHEMBL10975569 0.86 ACHE (0.56) ACHEHRH2LMNATSHRSLC47A1
Bromide SCHEMBL8944149 0.82 ACHE (0.63) ACHEHRH2LMNATSHRSLC47A1
SCHEMBL10781775 0.82 ACHE (0.66) ACHEHRH2LMNATSHRSLC47A1
SCHEMBL10975605 0.82 ACHE (0.54) ACHEHRH2LMNATSHRSLC47A1
Iodide SCHEMBL8743624 0.81 ACHE (0.76) ACHEHRH2LMNATSHRSLC47A1
Hydrochloric Acid SCHEMBL8743619 0.81 ACHE (0.76) ACHEHRH2LMNATSHRSLC47A1
Bromide SCHEMBL8943997 0.81 ACHE (0.76) ACHEHRH2LMNATSHRSLC47A1
SCHEMBL10781025 0.81 ACHE (0.54) ACHEHRH2LMNATSHRSLC47A1
SCHEMBL10426666 0.78 ACHE (0.60) ACHEHRH2LMNATSHRSLC47A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0091220-B1 THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ELI LILLY AND COMPANY (US) 1987-05-13 — — EP disclosed
US-4474794-A N-Thiazolylmethylthioalkyl-N1 -alkenyl (or alkynyl)guanidines and related compounds ELI LILLY AND COMPANY (US) 1984-10-02 — — US disclosed
EP-0091220-A2 Thiazole derivatives, process for their preparation and pharmaceutical compositions containing them ELI LILLY AND COMPANY (US) 1983-10-12 — — EP disclosed
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