SCHEMBL7696191

SCHEMBL7696191

CCOCCOC(=O)C1=C(C)NC(=S)NC1C1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.49
GAA P10253 1/20 0.49
DHFR P00374 3/20 0.46
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
ALDH1A1 P00352 6/20 0.43
ADORA2B P29275 4/20 0.43
POLB P06746 2/20 0.43
KMT2A Q03164 2/20 0.43
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALOX12 P18054 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL7694773 0.90 LMNA (0.59) LMNAGAADHFRCA1CA2
SCHEMBL7693905 0.76 ALDH1A1 (0.59) DHFRCA1CA2ALDH1A1ADORA2B
SCHEMBL7696536 0.75 LMNA (0.52) LMNAGAADHFRCA1CA2
SCHEMBL7691845 0.74 LMNA (0.51) LMNAGAADHFRCA1CA2
SCHEMBL7688881 0.73 DHFR (0.64) LMNAGAADHFRCA1CA2
SCHEMBL7694606 0.72 ALDH1A1 (0.69) LMNADHFRCA1CA2ALDH1A1
SCHEMBL7690794 0.71 DHFR (0.71) DHFRCA1CA2ALDH1A1ADORA2B
SCHEMBL7693967 0.70 DHFR (0.55) LMNAGAADHFRCA1CA2
SCHEMBL7697851 0.70 DHFR (0.59) LMNADHFRCA1CA2ALDH1A1
SCHEMBL7691910 0.70 DHFR (0.69) LMNADHFRCA1CA2ALDH1A1

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
WO-2002066443-A2 2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 2002-08-29 WO claimed