SCHEMBL11863488

SCHEMBL11863488

CC(=O)OCCn1c([N+](=O)[O-])cnc1C=CN(C)C

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GLA P06280 1/20 0.50
▸ TERT O14746 2/20 0.49
▸ EGFR P00533 9/20 0.47
▸ ERBB2 P04626 9/20 0.47
▸ PTK2 Q05397 3/20 0.45

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
SCHEMBL11863480 1.00 GLA (0.50) GLATERTEGFRERBB2PTK2
SCHEMBL11857955 0.85 TERT (0.55) TERTEGFRERBB2PTK2
SCHEMBL11857949 0.85 TERT (0.55) TERTEGFRERBB2PTK2
SCHEMBL11616161 0.84 GLA (0.55) GLAEGFRERBB2PTK2
SCHEMBL11859914 0.83 MAPK1 (0.58) GLATERTEGFRERBB2
SCHEMBL11859907 0.83 MAPK1 (0.58) GLATERTEGFRERBB2
SCHEMBL11616390 0.82 GLA (0.53) GLAEGFRERBB2
SCHEMBL11868504 0.82 CA1 (0.50) GLATERTEGFRERBB2PTK2
SCHEMBL11868510 0.82 CA1 (0.50) GLATERTEGFRERBB2PTK2
SCHEMBL11863880 0.81 LMNA (0.42) GLATERTEGFRERBB2PTK2

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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