SCHEMBL27412827

SCHEMBL27412827

CON=C(C#N)c1ccccc1CCBr

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HIF1A Q16665 3/20 0.31
▸ SCN1A P35498 1/20 0.31
▸ SCN2A Q99250 1/20 0.31
▸ SCN3A Q9NY46 1/20 0.31
▸ HPGDS O60760 1/20 0.31
▸ GSK3B P49841 1/20 0.30

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
SCHEMBL7537187 0.88 ALDH1A1 (0.33) ALDH1A1LMNAHIF1AGSK3B
SCHEMBL7973665 0.88 ALDH1A1 (0.33) ALDH1A1LMNAHIF1AGSK3B
SCHEMBL9232167 0.88 ALDH1A1 (0.33) ALDH1A1LMNAHIF1AGSK3B
SCHEMBL27476633 0.82 HIF1A (0.32) ALDH1A1LMNAHIF1A
SCHEMBL27457429 0.82 HIF1A (0.32) ALDH1A1LMNAHIF1A
SCHEMBL8399015 0.77 HIF1A (0.48) HIF1A
SCHEMBL8399021 0.77 HIF1A (0.48) HIF1A
SCHEMBL8593210 0.76 EGFR (0.46) —
SCHEMBL8593209 0.76 EGFR (0.46) —
SCHEMBL8592175 0.76 HIF1A (0.41) ALDH1A1HIF1AGSK3B

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
CN-1094487-C Oxime derivative and fungicide containing the same as active ingredient SHIONOGI & CO (JP) 2002-11-20 — — CN disclosed
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