SCHEMBL5339918

SCHEMBL5339918

CCOC(=O)N=C=S.O=c1[nH]c(=S)n(CC2CCNCC2)c2cc[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 18/20 0.41
▸ TPO P07202 13/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ MAPK10 P53779 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35

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
SCHEMBL1536648 0.83 MPO (0.52) MPOTPOOPRM1KCNH2CYP3A4
SCHEMBL1536612 0.71 MPO (0.53) MPOTPOOPRM1KCNH2CYP3A4
SCHEMBL29211289 0.68 MPO (0.48) MPOTPOOPRM1KCNH2CYP3A4
SCHEMBL1536693 0.68 MPO (0.53) MPOTPOOPRM1KCNH2CYP3A4
SCHEMBL29211255 0.67 MPO (0.52) MPOTPOOPRM1KCNH2CYP3A4
SCHEMBL29211246 0.66 MPO (0.46) MPOTPOOPRM1KCNH2CYP3A4
SCHEMBL5351113 0.66 MPO (0.46) MPOTPOOPRM1KCNH2CYP3A4
SCHEMBL28896567 0.65 MPO (0.65) MPOTPOOPRM1KCNH2CYP3A4
Uracil SCHEMBL27581753 0.65 CRBN (0.45) ALDH1A1KMT2ASMN1; SMN2
SCHEMBL30029530 0.64 MPO (0.54) MPOTPOOPRM1KCNH2CYP3A4

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-1824855-A1 NOVEL PYRROLO [3, 2-D]PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE IN THERAPY AstraZeneca AB (SE) 2007-08-29 — — EP disclosed
WO-2006062465-A1 NOVEL PYRROLO [3, 2-D] PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2006-06-15 — — WO disclosed
Send feedback