SCHEMBL7696536

SCHEMBL7696536

CCOCCOC(=O)C1=C(C)NC(=S)NC1C(CC)CC

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.52
GAA P10253 1/20 0.52
DHFR P00374 3/20 0.45
ALDH1A1 P00352 7/20 0.45
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
ADORA2B P29275 4/20 0.43
POLB P06746 2/20 0.43
KMT2A Q03164 2/20 0.43
ALOX12 P18054 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL7691835 0.82 ALDH1A1 (0.54) LMNAGAADHFRALDH1A1CA1
SCHEMBL7691845 0.79 LMNA (0.51) LMNAGAADHFRALDH1A1CA1
SCHEMBL7693299 0.77 SMN1; SMN2 (0.60) LMNADHFRALDH1A1CA1CA2
SCHEMBL7696191 0.75 LMNA (0.49) LMNAGAADHFRALDH1A1CA1
SCHEMBL7688881 0.73 DHFR (0.64) LMNAGAADHFRALDH1A1CA1
SCHEMBL7693967 0.73 DHFR (0.55) LMNAGAADHFRALDH1A1CA1
SCHEMBL7690794 0.71 DHFR (0.71) DHFRALDH1A1CA1CA2ADORA2B
SCHEMBL7695564 0.71 ALDH1A1 (0.70) LMNADHFRALDH1A1CA1CA2
SCHEMBL7697851 0.70 DHFR (0.59) LMNADHFRALDH1A1CA1CA2
SCHEMBL7691910 0.70 DHFR (0.69) LMNADHFRALDH1A1CA1CA2

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 disclosed