SCHEMBL11212202

SCHEMBL11212202

CN1CCN(C(=O)NC(C([NH])=O)c2ccccc2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ CCKBR P32239 1/20 0.38
▸ LMNA P02545 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ GAA P10253 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ CACNA2D1 P54289 1/20 0.35
▸ CACNA1B Q00975 1/20 0.35
▸ CACNB1 Q02641 1/20 0.35
▸ CACNA1C Q13936 1/20 0.35
▸ TACR3 P29371 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ OPRL1 P41146 1/20 0.34
▸ ATM Q13315 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
SCHEMBL11216115 0.92 LMNA (0.39) MEN1KMT2ACCKBRLMNAALDH1A1
SCHEMBL11212205 0.87 KMT2A (0.38) MEN1KMT2ACCKBRLMNAALDH1A1
SCHEMBL10332385 0.83 ALDH1A1 (0.37) MEN1KMT2ACCKBRLMNAALDH1A1
SCHEMBL8082394 0.80 CHRM1 (0.36) MEN1KMT2ALMNAALDH1A1GAA
SCHEMBL11216119 0.80 KMT2A (0.37) MEN1KMT2ACCKBRLMNAALDH1A1
SCHEMBL9814590 0.79 MEN1 (0.38) MEN1KMT2ACCKBRLMNAALDH1A1
SCHEMBL11605827 0.78 KMT2A (0.42) MEN1KMT2ACCKBRLMNAALDH1A1
SCHEMBL11217470 0.78 ALDH1A1 (0.38) MEN1KMT2ACCKBRLMNAALDH1A1
SCHEMBL9869191 0.78 MAPT (0.34) MEN1KMT2ACCKBRLMNA
SCHEMBL11218592 0.77 MEN1 (0.52) MEN1KMT2ACCKBRLMNAALDH1A1

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
Send feedback