SCHEMBL11218592

SCHEMBL11218592

[NH]C(=O)C(NC(=O)N1CCNC1=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ CCKBR P32239 1/20 0.52
▸ LMNA P02545 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.46
▸ GAA P10253 2/20 0.43
▸ MAPT P10636 1/20 0.39
▸ ATM Q13315 1/20 0.37
▸ RET P07949 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ KLK5 Q9Y337 1/20 0.36
▸ GPR6 P46095 1/20 0.36
▸ CACNA2D1 P54289 1/20 0.35
▸ CACNA1B Q00975 1/20 0.35
▸ CACNB1 Q02641 1/20 0.35
▸ CACNA1C Q13936 1/20 0.35
▸ NOS1 P29475 1/20 0.35

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
SCHEMBL11214162 0.92 KMT2A (0.46) MEN1KMT2ACCKBRLMNAALDH1A1
SCHEMBL10564270 0.89 MEN1 (0.53) MEN1KMT2ACCKBRLMNAALDH1A1
SCHEMBL10674145 0.89 MEN1 (0.53) MEN1KMT2ACCKBRLMNAALDH1A1
SCHEMBL10751872 0.86 MEN1 (0.52) MEN1KMT2ACCKBRLMNAALDH1A1
SCHEMBL11218597 0.86 MEN1 (0.52) MEN1KMT2ACCKBRLMNAALDH1A1
SCHEMBL11773759 0.81 MEN1 (0.47) MEN1KMT2ACCKBRLMNAALDH1A1
SCHEMBL11132340 0.81 ALDH1A1 (0.51) MEN1KMT2ACCKBRLMNAALDH1A1
SCHEMBL11130012 0.81 ALDH1A1 (0.51) MEN1KMT2ACCKBRLMNAALDH1A1
SCHEMBL11130015 0.81 ALDH1A1 (0.51) MEN1KMT2ACCKBRLMNAALDH1A1
SCHEMBL11214185 0.79 KLK5 (0.51) 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
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