SCHEMBL11867795

SCHEMBL11867795

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

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 11/20 0.56
▸ EGFR P00533 2/20 0.52
▸ ERBB2 P04626 2/20 0.52
▸ TERT O14746 1/20 0.51

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
SCHEMBL11857955 0.85 TERT (0.55) PTK2EGFRERBB2TERT
SCHEMBL11857949 0.85 TERT (0.55) PTK2EGFRERBB2TERT
Metronidazole Benzoate SCHEMBL366213 0.84 GLA (0.68) EGFRERBB2
SCHEMBL11616161 0.82 GLA (0.55) PTK2EGFRERBB2
SCHEMBL11773969 0.75 LMNA (0.63) PTK2
SCHEMBL26231954 0.74 GLA (0.68) EGFRERBB2
SCHEMBL11726289 0.74 ALDH1A1 (0.50) PTK2EGFRERBB2
SCHEMBL11837255 0.72 LMNA (0.48) EGFRERBB2
SCHEMBL11732763 0.72 LMNA (0.48) PTK2EGFRERBB2
SCHEMBL14185057 0.72 EGFR (0.64) EGFRERBB2

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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