SCHEMBL11857955

SCHEMBL11857955

CN(C)C=Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 2/20 0.55
▸ PTK2 Q05397 7/20 0.54
▸ EGFR P00533 1/20 0.52
▸ ERBB2 P04626 1/20 0.52

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
SCHEMBL11857949 1.00 TERT (0.55) TERTPTK2EGFRERBB2
SCHEMBL11863480 0.85 GLA (0.50) TERTPTK2EGFRERBB2
SCHEMBL11867795 0.85 PTK2 (0.56) TERTPTK2EGFRERBB2
SCHEMBL11863488 0.85 GLA (0.50) TERTPTK2EGFRERBB2
Metronidazole Benzoate SCHEMBL366213 0.81 GLA (0.68) EGFRERBB2
SCHEMBL11859914 0.78 MAPK1 (0.58) TERTEGFRERBB2
SCHEMBL11859907 0.78 MAPK1 (0.58) TERTEGFRERBB2
SCHEMBL11868510 0.77 CA1 (0.50) TERTPTK2EGFRERBB2
SCHEMBL11868504 0.77 CA1 (0.50) TERTPTK2EGFRERBB2
SCHEMBL11861038 0.76 LMNA (0.42) TERTPTK2EGFRERBB2

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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