SCHEMBL2014458

SCHEMBL2014458

CC(C)(C)OC(=O)N1CCC(CNC(=O)C2CCC(c3ccccc3)N(S(=O)(=O)c3ccccc3)C2)CC1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
PKM P14618 1/20 0.56
TGFBR1 P36897 12/20 0.52
STS P08842 3/20 0.49
HTR6 P50406 1/20 0.48
LIMK2 P53671 1/20 0.44

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
SCHEMBL12628178 1.00 KDM4E (0.56) KDM4EPKMTGFBR1STSHTR6
SCHEMBL12628193 0.96 KDM4E (0.51) KDM4EPKMTGFBR1STSHTR6
SCHEMBL2011799 0.96 KDM4E (0.51) KDM4EPKMTGFBR1STSHTR6
SCHEMBL2011798 0.96 KDM4E (0.51) KDM4EPKMTGFBR1STSHTR6
SCHEMBL12628523 0.91 HTR6 (0.52) KDM4EPKMTGFBR1STSHTR6
SCHEMBL2038075 0.91 HTR6 (0.52) KDM4EPKMTGFBR1STSHTR6
SCHEMBL12628959 0.86 STS (0.41) KDM4EPKMTGFBR1STSHTR6
SCHEMBL12631614 0.85 ALDH1A1 (0.46) KDM4EPKMTGFBR1STS
SCHEMBL12628525 0.85 USP30 (0.52) TGFBR1STS
SCHEMBL2012363 0.85 USP30 (0.52) TGFBR1STS

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
WO-2011073269-A1 PIPERIDINE ARYL SULFONAMIDE DERIVATIVES AS KV1.3 MODULATORS EVOTEC AG (DE) 2011-06-23 WO claimed