SCHEMBL7779867

SCHEMBL7779867

[O]C(=O)CSCCNC(=O)CCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
RAB9A P51151 1/20 0.65
ALDH1A1 P00352 4/20 0.61
LMNA P02545 3/20 0.61
KDM4E B2RXH2 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.58
HPGD P15428 6/20 0.56
L3MBTL1 Q9Y468 1/20 0.54
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
GAA P10253 1/20 0.50
USP2 O75604 1/20 0.50
HTT P42858 1/20 0.49

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
SCHEMBL2186352 0.79 HDAC2 (0.72) MEN1KMT2ARAB9ALMNAKDM4E
SCHEMBL17117265 0.76 HPGD (0.61) ALDH1A1LMNASMN1; SMN2HPGDHDAC2
SCHEMBL3199145 0.76 LMNA (0.66) MEN1KMT2ARAB9ALMNAKDM4E
SCHEMBL6290165 0.76 HPGD (0.66) MEN1KMT2ARAB9ALMNAKDM4E
SCHEMBL8744900 0.76 HPGD (0.81) MEN1KMT2ARAB9ALMNAKDM4E
SCHEMBL3681101 0.76 CNR2 (0.68) MEN1KMT2ARAB9ALMNAKDM4E
SCHEMBL10963359 0.74 HPGD (0.64) MEN1KMT2ARAB9ALMNAKDM4E
SCHEMBL4517102 0.74 HPGD (0.64) MEN1KMT2ARAB9ALMNAKDM4E
SCHEMBL6360887 0.74 HPGD (0.79) MEN1KMT2ARAB9AALDH1A1LMNA
SCHEMBL7779895 0.74 HPGD (0.64) MEN1KMT2ARAB9ALMNAKDM4E

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
EP-0688314-B1 PRODRUG DERIVATIVES OF ENZYME INHIBITORS WITH HYDROXYL GROUPS, METHODS OF PREPARING THEM AND THEIR USE HOECHST AG (DE) 2001-10-04 EP disclosed