SCHEMBL4044730

SCHEMBL4044730

CCCC(NC(=O)Oc1ccc2ccccc2c1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccnc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
ELOVL6 Q9H5J4 1/20 0.38
KCNQ1 P51787 1/20 0.38
HSD17B10 Q99714 1/20 0.37
TSHR P16473 1/20 0.36
CTSK P43235 2/20 0.36
CCR1 P32246 1/20 0.34
ROCK2 O75116 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
PIK3CG P48736 1/20 0.34

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
SCHEMBL4046989 0.93 ALDH1A1 (0.38) LMNAKDM4EALDH1A1MAPTELOVL6
SCHEMBL4040677 0.92 CTSK (0.41) LMNAKDM4EALDH1A1MAPTELOVL6
SCHEMBL4048312 0.91 KCNQ1 (0.40) LMNAKDM4EALDH1A1ELOVL6KCNQ1
SCHEMBL4051965 0.90 MC4R (0.38) LMNAKDM4EALDH1A1MAPTCTSK
SCHEMBL4047844 0.90 SMYD3 (0.35) CTSK
SCHEMBL4050093 0.89 HTT (0.41) LMNAALDH1A1MAPTELOVL6KCNQ1
SCHEMBL4048207 0.89 HSD17B10 (0.36) LMNAKDM4EALDH1A1MAPTELOVL6
SCHEMBL4051650 0.89 HSD17B10 (0.36) LMNAKDM4EALDH1A1MAPTELOVL6
SCHEMBL4045249 0.88 CTSK (0.36) LMNACTSKCCR1
SCHEMBL4041999 0.88 HSD17B10 (0.36) LMNAKDM4EALDH1A1MAPTELOVL6

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-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed