SCHEMBL2784650

SCHEMBL2784650

CC1C(C=O)C(=O)N(c2ccccc2)N1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.40
▸ PTGS1 P23219 2/20 0.40
▸ ABCB11 O95342 1/20 0.40
▸ LOX P28300 1/20 0.39
▸ LOXL3 P58215 1/20 0.39
▸ LOXL4 Q96JB6 1/20 0.39
▸ LOXL2 Q9Y4K0 1/20 0.39
▸ MAOA P21397 1/20 0.37
▸ GSK3A P49840 2/20 0.35
▸ GSK3B P49841 2/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ FPR1 P21462 1/20 0.34
▸ ALDH1A1 P00352 5/20 0.33
▸ MAPT P10636 3/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33

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
SCHEMBL14446344 0.79 LOX (0.43) LMNAPTGS1ABCB11LOXLOXL3
SCHEMBL13415787 0.76 LMNA (0.45) LMNAPTGS1ABCB11LOXLOXL3
SCHEMBL9616703 0.76 LOX (0.41) LMNAPTGS1ABCB11LOXLOXL3
SCHEMBL9616973 0.73 LOX (0.39) LMNAPTGS1ABCB11LOXLOXL3
SCHEMBL19829483 0.73 LOX (0.39) LMNAPTGS1ABCB11LOXLOXL3
SCHEMBL20878207 0.70 LMNA (0.43) LMNAPTGS1ABCB11MAOASMN1; SMN2
SCHEMBL8217266 0.70 LOX (0.36) LMNAPTGS1ABCB11LOXLOXL3
SCHEMBL5193549 0.69 LMNA (0.47) LMNAPTGS1ABCB11MAOAGSK3A
SCHEMBL13963799 0.68 ALDH1A1 (0.40) LMNAPTGS1ABCB11LOXLOXL3
SCHEMBL30834844 0.68 POLB (0.35) LMNAPTGS1ABCB11LOXLOXL3

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
WO-2010046256-A2 METHOD FOR CONCEALING GRAY HAIRS HENKEL AG & CO. KGAA (DE) 2010-04-29 — — WO disclosed
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