SCHEMBL5865154

SCHEMBL5865154

CC(C)Cn1c(=O)n(C)c(=O)c2cc(C(O)c3ccc(C(F)(F)F)cc3)sc21

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 18/20 0.40
POLB P06746 1/20 0.38
CYP2C9 P11712 2/20 0.37
PDE2A O00408 1/20 0.36
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE1C Q14123 1/20 0.36

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
SCHEMBL5864728 0.89 POLB (0.43) SLC16A1POLBCYP2C9
SCHEMBL7004534 0.87 PDE1A (0.41) SLC16A1CYP2C9PDE2APDE1APDE1B
SCHEMBL5865248 0.86 PDE1A (0.41) SLC16A1CYP2C9PDE2APDE1APDE1B
SCHEMBL5865253 0.83 PARG (0.37) SLC16A1POLBCYP2C9PDE2APDE1A
SCHEMBL5864724 0.82 LMNA (0.42) SLC16A1POLBCYP2C9PDE2APDE1A
SCHEMBL5864761 0.81 SLC16A1 (0.42) SLC16A1CYP2C9
SCHEMBL7009336 0.81 PDE1A (0.38) SLC16A1CYP2C9PDE2APDE1APDE1B
SCHEMBL7007349 0.80 PDE1A (0.38) SLC16A1CYP2C9PDE2APDE1APDE1B
SCHEMBL7009074 0.79 TSHR (0.39) SLC16A1CYP2C9PDE2APDE1APDE1B
SCHEMBL7006740 0.78 PDE1A (0.38) SLC16A1CYP2C9PDE2APDE1APDE1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6984644-B2 Treatment of skin disorders using thieno[2,3-D]pyrimidinediones ASTRAZENECA AB (SE) 2006-01-10 US claimed
US-6469014-B1 IMMUNOSUPPRESSIVE ACTIVITY ASTRAZENECA AB (SE) 2002-10-22 US claimed
EP-0991653-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2002-10-16 EP claimed
US-6984644-B2 Treatment of skin disorders using thieno[2,3-D]pyrimidinediones ASTRAZENECA AB (SE) 2006-01-10 US disclosed
US-6469014-B1 IMMUNOSUPPRESSIVE ACTIVITY ASTRAZENECA AB (SE) 2002-10-22 US disclosed