SCHEMBL8100145

SCHEMBL8100145

CC(C)C(c1ccc(=O)[nH]c1)c1nc(CCCO)[nH]c1Sc1cc(Cl)cc(Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 3/20 0.34
CDK4 P11802 3/20 0.34
CCND1 P24385 3/20 0.34
CCNE1 P24864 3/20 0.34
CDK2 P24941 3/20 0.34
GPR84 Q9NQS5 1/20 0.32
HSP90B1 P14625 1/20 0.30

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
SCHEMBL8102069 0.95
SCHEMBL8108530 0.91
SCHEMBL8116150 0.87
SCHEMBL8108927 0.85
SCHEMBL8109045 0.83 PDE2A (0.32)
SCHEMBL8108674 0.77
SCHEMBL8114664 0.75
SCHEMBL8346651 0.74 HSP90B1 (0.32) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL5852653 0.74 TDP1 (0.32) HSP90B1
SCHEMBL8115381 0.73 PDE2A (0.33)

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
US-6147097-A METHOD FOR TREATING AIDS SHIONOGI & CO., LTD. (JP) 2000-11-14 US disclosed