SCHEMBL9838534

SCHEMBL9838534

O=C1CC(=O)N(C2NC(=O)NC2=O)C(=O)N1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
MAPT P10636 4/20 0.35
ALOX12 P18054 1/20 0.35
TSHR P16473 2/20 0.33
LMNA P02545 1/20 0.33
RGS12 O14924 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL11363682 0.76 TSHR (0.34) TSHRTDP1
SCHEMBL181531 0.73 TSHR (0.35) MAPTTSHRLMNARGS12TDP1
SCHEMBL1981591 0.67 OPRL1 (0.46) MEN1KMT2AMAPTALOX12TSHR
SCHEMBL3503449 0.67 OPRL1 (0.49) MEN1KMT2AMAPTTSHRLMNA
SCHEMBL2161809 0.65 OPRL1 (0.51) KMT2ATSHRLMNA
SCHEMBL1809020 0.64 TSHR (0.38) TSHRRGS12TDP1
SCHEMBL6632635 0.64 TSHR (0.38) TSHRRGS12TDP1
SCHEMBL7534039 0.63 BRD4 (0.33) TSHRTDP1
SCHEMBL11422629 0.63 ALDH1A1 (0.47) MAPTTSHRTDP1
SCHEMBL16341346 0.63 OPRL1 (0.37) MEN1KMT2AMAPTALOX12TDP1

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
EP-0454773-A1 NOVEL PRODRUG DERIVATIVES OF BIOLOGICALLY ACTIVE AGENTS CONTAINING HYDROXYL GROUPS OR NH-ACIDIC GROUPS Bundgaard, Hans (DK) 1991-11-06 EP disclosed
WO-1990008128-A1 NOVEL PRODRUG DERIVATIVES OF BIOLOGICALLY ACTIVE AGENTS CONTAINING HYDROXYL GROUPS OR NH-ACIDIC GROUPS BUNDGAARD HANS (DK) 1990-07-26 WO disclosed