SCHEMBL21697138

SCHEMBL21697138

Cc1cc(CC(=S)N2CCCC2C)on1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 7/20 0.47
▸ CDK2 P24941 7/20 0.47
▸ GSK3B P49841 5/20 0.47
▸ VHL P40337 2/20 0.41
▸ CHRNB2 P17787 1/20 0.39
▸ CHRNB4 P30926 1/20 0.39
▸ CHRNA3 P32297 1/20 0.39
▸ CHRNA7 P36544 1/20 0.39
▸ CHRNA4 P43681 1/20 0.39
▸ EPHX2 P34913 1/20 0.36
▸ SCD5 Q86SK9 2/20 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
SCHEMBL21696439 0.84 CCNE1 (0.54) CCNE1CDK2GSK3BVHL
SCHEMBL21696556 0.84 CCNE1 (0.54) CCNE1CDK2GSK3BVHL
SCHEMBL21696706 0.80 CCNE1 (0.54) CCNE1CDK2GSK3BVHL
SCHEMBL15112607 0.74 VHL (0.55) CCNE1CDK2GSK3BVHLCHRNB2
SCHEMBL21696532 0.73 VHL (0.43) VHL
SCHEMBL15126220 0.72 VHL (0.53) CCNE1CDK2GSK3BVHL
SCHEMBL21696674 0.72 VHL (0.50) CCNE1CDK2GSK3BVHLEPHX2
SCHEMBL21696738 0.71 VHL (0.52) CCNE1CDK2GSK3BVHL
SCHEMBL13570435 0.71 VHL (0.52) CCNE1CDK2GSK3BVHL
SCHEMBL21696618 0.69 VHL (0.53) CCNE1CDK2GSK3BVHL

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
EP-3608317-A1 COMPOUNDS & METHODS FOR THE ENHANCED DEGRADATION OF TARGETED PROTEINS & OTHER POLYPEPTIDES BY AN E3 UBIQUITIN LIGASE Yale University (US) 2020-02-12 — — EP disclosed
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