SCHEMBL11216119

SCHEMBL11216119

CN1CCCN(C(=O)NC(C(N)=O)c2ccccc2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.37
▸ GAA P10253 2/20 0.37
▸ GFER P55789 1/20 0.37
▸ PER2 O15055 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ CNR1 P21554 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ TACR3 P29371 1/20 0.35
▸ GPR88 Q9GZN0 1/20 0.35
▸ CCKBR P32239 1/20 0.35
▸ RAB9A P51151 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ PDGFRA P16234 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ MAPKAPK2 P49137 1/20 0.34
▸ RPS6KA1 Q15418 1/20 0.34

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
SCHEMBL11212205 0.92 KMT2A (0.38) KMT2AGAAGFERMEN1LMNA
SCHEMBL11216115 0.88 LMNA (0.39) KMT2AGAAPER2MEN1LMNA
SCHEMBL11217471 0.83 ALDH1A1 (0.36) KMT2AGAAGFERMEN1LMNA
SCHEMBL11212202 0.80 MEN1 (0.38) KMT2AGAAMEN1LMNAALDH1A1
SCHEMBL11214185 0.79 KLK5 (0.51) KMT2AGAAGFERMEN1LMNA
SCHEMBL10332386 0.78 KMT2A (0.36) KMT2AGAAGFERMEN1LMNA
SCHEMBL11733493 0.77 KMT2A (0.41) KMT2AGAAMEN1LMNAALDH1A1
SCHEMBL11739896 0.77 KMT2A (0.41) KMT2AGAAMEN1LMNAALDH1A1
SCHEMBL11218597 0.75 MEN1 (0.52) KMT2AGAAMEN1LMNAALDH1A1
SCHEMBL11732699 0.75 MEN1 (0.41) KMT2AGAAMEN1LMNAALDH1A1

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
US-4329454-A Cephalosporin compounds ELI LILLY AND COMPANY (US) 1982-05-11 — — US disclosed
US-4144391-A REPLACING AN ACETOXY GROUP BY A SULFUR NUCLEOPHILE ELI LILLY AND COMPANY (US) 1979-03-13 — — US disclosed
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