SCHEMBL7605077

SCHEMBL7605077

CCCC(C)n1ccncc1=O

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
ACHE P22303 3/20 0.34
SLC2A1 P11166 1/20 0.33
BRD4 O60885 1/20 0.31
CYP17A1 P05093 1/20 0.31
SLC6A2 P23975 1/20 0.31

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
SCHEMBL30719392 0.89 SMN1; SMN2 (0.40)
SCHEMBL1156025 0.86 BMPR1B (0.34) ACHE
SCHEMBL19154958 0.74
SCHEMBL18250734 0.69 KMT2A (0.43) GAAACHESLC2A1BRD4
SCHEMBL22107732 0.69 GAA (0.35) GAAACHESLC2A1BRD4CYP17A1
SCHEMBL21459637 0.69 ALDH1A1 (0.38)
SCHEMBL21459640 0.69 ALDH1A1 (0.38)
SCHEMBL23168834 0.68 TLR8 (0.43) GAASLC2A1BRD4
Iodide SCHEMBL28890293 0.68 KMT2A (0.42) GAASLC2A1BRD4
SCHEMBL18250275 0.68 SMN1; SMN2 (0.38) GAASLC2A1BRD4

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
EP-0708090-B1 Intermediates useful for the synthesis of pesticides AVENTIS CROPSCIENCE SA (FR) 2002-12-04 EP disclosed