SCHEMBL28443260

SCHEMBL28443260

CCN(C)C(=N)Nc1cc(C)c(Sc2cccc(OC(F)F)c2)cc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ LMNA P02545 4/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ MAPT P10636 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ MTNR1A P48039 1/20 0.32
▸ MTNR1B P49286 1/20 0.32
▸ FAAH O00519 1/20 0.32
▸ BCHE P06276 1/20 0.32
▸ ACHE P22303 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
SCHEMBL30166535 0.83 ACHE (0.34) GAASMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL20920141 0.83 ACHE (0.34) GAASMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL28563620 0.77 MAPT (0.34) SMN1; SMN2LMNAMAPTMEN1TSHR
SCHEMBL28574538 0.76 L3MBTL1 (0.36) GAASMN1; SMN2MEN1KMT2AFAAH
SCHEMBL28529383 0.73 RAB9A (0.35) GAASMN1; SMN2LMNANPSR1MAPT
SCHEMBL21383553 0.73 CETP (0.36) ALDH1A1
SCHEMBL28456082 0.72 DHODH (0.31) —
SCHEMBL16417051 0.71 DRD1 (0.32) —
SCHEMBL15022386 0.71 DRD1 (0.32) —
SCHEMBL29367933 0.71 DRD1 (0.32) —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111970929-A Active ingredient combinations having insecticidal, nematicidal and acaricidal properties 拜耳公司 2020-11-20 — — CN disclosed
CN-111601802-A Heterocyclic compounds as pesticides 拜耳股份有限公司 2020-08-28 — — CN disclosed
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