SCHEMBL27640388

SCHEMBL27640388

O=CC1NN=NN1c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ LOX P28300 1/20 0.31
▸ LOXL3 P58215 1/20 0.31
▸ LOXL4 Q96JB6 1/20 0.31
▸ LOXL2 Q9Y4K0 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ GAA P10253 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ GSK3A P49840 1/20 0.31
▸ GSK3B P49841 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
SCHEMBL27621381 0.83 MAPT (0.32) ALDH1A1MAPTMEN1KMT2A
SCHEMBL27640346 0.83 F2 (0.33) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL27621677 0.83 PTGS2 (0.33) —
SCHEMBL27621420 0.83 MGLL (0.32) —
SCHEMBL28131105 0.82 CYP2A6 (0.39) —
SCHEMBL27640360 0.82 HTR3E (0.37) ALDH1A1MAPTGAAKMT2A
SCHEMBL27640367 0.81 FAAH (0.38) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL27621326 0.81 HSP90AA1 (0.38) ALDH1A1MAPT
SCHEMBL27621556 0.79 TDP1 (0.36) ATMGSK3AGSK3B
SCHEMBL27621378 0.79 TDP1 (0.37) ALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106573901-A Fumarate analogs and uses thereof in the treatment of an autoimmune disease or an inflammatory disease 参宿七制药股份有限公司 2017-04-19 — — CN disclosed
CN-100522952-C Insecticidal phthalamide derivatives BAYER CROPSCIENCE AG (DE) 2009-08-05 — — CN disclosed
CN-1759105-A Phthalamide derivatives having insecticidal activity BAYER CROPSCIENCE AG (DE) 2006-04-12 — — CN disclosed
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