SCHEMBL29166001

SCHEMBL29166001

O=COc1cc(Cl)nnc1Cl

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ RAB9A P51151 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL29549876 0.71 ALDH1A1 (0.45) TDP1ALDH1A1LMNARAB9AL3MBTL1
SCHEMBL29549875 0.71 ALDH1A1 (0.45) TDP1ALDH1A1LMNARAB9AL3MBTL1
SCHEMBL23554633 0.71 TDP1 (0.44) TDP1ALDH1A1LMNARAB9AL3MBTL1
SCHEMBL7756808 0.67 TDP1 (0.44) TDP1ALDH1A1LMNA
SCHEMBL30422054 0.67 GAA (0.44) TDP1ALDH1A1RAB9A
SCHEMBL14551282 0.67 GAA (0.44) TDP1ALDH1A1RAB9A
SCHEMBL28134125 0.67 TDP1 (0.36) TDP1
SCHEMBL29549805 0.67 ALDH1A1 (0.41) TDP1ALDH1A1LMNAL3MBTL1
SCHEMBL23530022 0.67 ALDH1A1 (0.41) TDP1ALDH1A1LMNAL3MBTL1
SCHEMBL29550468 0.67 TDP1 (0.40) TDP1LMNARAB9A

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-117510412-A Pyridazine derivative and preparation method and application thereof 贵州大学 2024-02-06 — — CN disclosed
Send feedback