SCHEMBL11868504

SCHEMBL11868504

CN(C)/C=C/c1ncc([N+](=O)[O-])n1CCOS(C)(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 5/20 0.50
▸ CA2 P00918 5/20 0.50
▸ CA9 Q16790 5/20 0.50
▸ CA12 O43570 4/20 0.50
▸ TERT O14746 1/20 0.41
▸ GLA P06280 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ EGFR P00533 3/20 0.38
▸ ERBB2 P04626 3/20 0.38
▸ PTK2 Q05397 3/20 0.38
▸ TUBB4A P04350 1/20 0.38
▸ TUBB P07437 1/20 0.38
▸ TUBA3C P0DPH7 1/20 0.38
▸ TUBA1B P68363 1/20 0.38
▸ TUBA4A P68366 1/20 0.38
▸ TUBB4B P68371 1/20 0.38
▸ TUBB3 Q13509 1/20 0.38
▸ TUBB2A Q13885 1/20 0.38
▸ TUBB8 Q3ZCM7 1/20 0.38

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
SCHEMBL11868510 1.00 CA1 (0.50) CA1CA2CA9CA12TERT
SCHEMBL11873317 0.85 CA1 (0.47) CA1CA2CA9CA12TERT
SCHEMBL11873312 0.85 CA1 (0.47) CA1CA2CA9CA12TERT
SCHEMBL11863480 0.82 GLA (0.50) TERTGLAEGFRERBB2PTK2
SCHEMBL11863488 0.82 GLA (0.50) TERTGLAEGFRERBB2PTK2
SCHEMBL11861038 0.81 LMNA (0.42) CA1CA2CA9CA12TERT
SCHEMBL11863880 0.81 LMNA (0.42) CA1CA2CA9CA12TERT
SCHEMBL11859907 0.81 MAPK1 (0.58) CA1CA2CA9CA12TERT
SCHEMBL11861033 0.81 LMNA (0.42) CA1CA2CA9CA12TERT
SCHEMBL11859914 0.81 MAPK1 (0.58) CA1CA2CA9CA12TERT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3952007-A Processes for preparing 5-nitro-1-methyl-2-(2-dialkylaminovinyl)-imidazole and 5-nitro-1-methyl-2-imidazolyl carboxaldehyde SCHERING AKTIENGESELLSCHAFT (DT) 1976-04-20 — — US disclosed
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