SCHEMBL7837671

SCHEMBL7837671

O=C(NC1CCCCC1)N1CCCC1C(O)=S

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
POLB P06746 2/20 0.57
TSHR P16473 3/20 0.56
NPSR1 Q6W5P4 1/20 0.56
ALDH1A1 P00352 3/20 0.53
HTT P42858 1/20 0.50
TDP1 Q9NUW8 2/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL7670891 1.00 KDM4E (0.69) KDM4ESMN1; SMN2POLBTSHRNPSR1
SCHEMBL5950255 0.87 KDM4E (0.73) KDM4ESMN1; SMN2POLBTSHRNPSR1
SCHEMBL6534174 0.87 KDM4E (0.73) KDM4ESMN1; SMN2POLBTSHRNPSR1
SCHEMBL7837668 0.82 KDM4E (0.71) KDM4ESMN1; SMN2POLBTSHRNPSR1
SCHEMBL7670889 0.82 KDM4E (0.71) KDM4ESMN1; SMN2POLBTSHRNPSR1
SCHEMBL7405457 0.77 KDM4E (0.53) KDM4ESMN1; SMN2POLBNPSR1ALDH1A1
SCHEMBL7336982 0.77 KDM4E (0.53) KDM4ESMN1; SMN2POLBNPSR1ALDH1A1
SCHEMBL7677220 0.75 KDM4E (0.40) KDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL7680333 0.75 LMNA (0.46) KDM4ESMN1; SMN2POLBALDH1A1KMT2A
SCHEMBL18051877 0.75 KDM4E (0.61) KDM4ESMN1; SMN2POLBTSHRNPSR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0959882-A4 N-LINKED UREAS AND CARBAMATES OF HETEROCYCLIC THIOESTERS HAMILTON GREGORY S (US) 2001-12-05 EP disclosed
EP-0959882-A1 N-LINKED UREAS AND CARBAMATES OF HETEROCYCLIC THIOESTERS GUILFORD PHARMACEUTICALS INC. (US) 1999-12-01 EP disclosed
WO-1998029117-A1 N-LINKED UREAS AND CARBAMATES OF HETEROCYCLIC THIOESTERS GUILFORD PHARMACEUTICALS INC. (US) 1998-07-09 WO disclosed