SCHEMBL7992945

SCHEMBL7992945

CC(=O)Nc1ncc(CC(=O)SC(C)(C)C)s1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 12/20 0.48
CDK2 P24941 12/20 0.48
CCNE2 O96020 11/20 0.48
CDK4 P11802 7/20 0.47
CDK1 P06493 6/20 0.47
CCND1 P24385 6/20 0.47
CCNB2 O95067 5/20 0.47
CCNB1 P14635 5/20 0.47
CCNB3 Q8WWL7 5/20 0.47
CCND2 P30279 1/20 0.47
CCND3 P30281 1/20 0.47
LMNA P02545 2/20 0.46
MAPT P10636 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
AOC3 Q16853 2/20 0.44
OGA O60502 1/20 0.43

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
SCHEMBL4972075 0.81 LMNA (0.53) CCNE1CDK2CCNE2CDK4CDK1
SCHEMBL21770026 0.78 CDK2 (0.53) CCNE1CDK2CCNE2CDK4CDK1
SCHEMBL233711 0.76 CDK2 (0.60) CCNE1CDK2CCNE2CDK4CDK1
SCHEMBL12523827 0.76 LMNA (0.55) CCNE1CDK2CCNE2CDK4CDK1
SCHEMBL4963441 0.74 LMNA (0.53) CCNE1CDK2CCNE2CDK4CDK1
SCHEMBL16113800 0.74 LMNA (0.57) CCNE1CDK2CCNE2CDK4CDK1
SCHEMBL31128699 0.73 LMNA (0.52) CCNE1CDK2CCNE2CDK4CDK1
SCHEMBL21358854 0.73 LMNA (0.52) CCNE1CDK2CCNE2CDK4CDK1
SCHEMBL18135139 0.73 CDK2 (0.64) CCNE1CDK2CCNE2CDK4CDK1
SCHEMBL24732259 0.72 CDK2 (0.64) CCNE1CDK2CCNE2CDK4CDK1

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-6262096-B1 IN COMBINATION WITH A MODULATOR OF P53 TRANSACTIVATION FORMULATED AS A FIXED DOSE. BRISTOL-MYERS SQUIBB COMPANY 2001-07-17 US disclosed