SCHEMBL13712950

SCHEMBL13712950

CCOC(=O)C1CCCC1N(Cc1ccc(C)cc1)C(=O)CC1=NS(=O)(=O)c2cc(NS(C)(=O)=O)ccc2N1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.33
LMNA P02545 3/20 0.33
ALDH1A1 P00352 2/20 0.33
THRB P10828 1/20 0.33
RECQL P46063 1/20 0.32
MAPT P10636 1/20 0.32
TP53 P04637 1/20 0.31
MMP2 P08253 1/20 0.31
MMP13 P45452 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL13890009 0.94 ALDH1A1 (0.32) LMNAALDH1A1THRBTP53
SCHEMBL4481255 0.94 ALDH1A1 (0.32) LMNAALDH1A1THRBTP53
SCHEMBL4484765 0.94 NPC1 (0.34) LMNAALDH1A1THRBMAPTTP53
SCHEMBL4493109 0.91 MMP2 (0.33) LMNAALDH1A1THRBRECQLMAPT
SCHEMBL13712219 0.89 HTR2A (0.32)
SCHEMBL4488210 0.89 HTR2A (0.32)
SCHEMBL4480672 0.89 MMP2 (0.31) LMNAALDH1A1THRBRECQLTP53
SCHEMBL13712260 0.88 MMP2 (0.31) LMNAALDH1A1THRBRECQLMMP2
SCHEMBL4489808 0.88 MMP2 (0.31) LMNAALDH1A1THRBRECQLMMP2
SCHEMBL4495326 0.88 MEN1 (0.33) LMNAALDH1A1THRBRECQLMAPT

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-7582626-B2 5,6-dihydro-1H-pyridin-2-one compounds ANADYS PHARMACEUTICALS, INC. (US) 2009-09-01 US disclosed