SCHEMBL10043293

SCHEMBL10043293

NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
LMNA P02545 1/20 0.48
LONP1 P36776 3/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
TSHR P16473 2/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SMYD3 Q9H7B4 1/20 0.46
PSMB11 A5LHX3 2/20 0.45
PSMA7 O14818 2/20 0.45
PSMB1 P20618 2/20 0.45
PSMA1 P25786 2/20 0.45
PSMA2 P25787 2/20 0.45
PSMA3 P25788 2/20 0.45
PSMA4 P25789 2/20 0.45
PSMB8 P28062 2/20 0.45
PSMB9 P28065 2/20 0.45
PSMA5 P28066 2/20 0.45

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
SCHEMBL2411972 1.00 MAPT (0.53) MAPTLMNALONP1SMN1; SMN2TSHR
SCHEMBL7857535 0.88 MAPT (0.54) MAPTLMNALONP1SMN1; SMN2TSHR
SCHEMBL329840 0.88 MAPT (0.54) MAPTLMNALONP1SMN1; SMN2TSHR
SCHEMBL8186108 0.87 PSMB11 (0.50) MAPTLMNALONP1SMN1; SMN2TSHR
SCHEMBL8033800 0.87 MAPT (0.53) MAPTLMNALONP1SMN1; SMN2TSHR
SCHEMBL2411970 0.87 MAPT (0.53) MAPTLMNALONP1SMN1; SMN2TSHR
SCHEMBL8176349 0.85 LONP1 (0.46) MAPTLMNALONP1SMN1; SMN2TSHR
SCHEMBL10044937 0.85 MAPT (0.51) MAPTLMNALONP1SMN1; SMN2TSHR
SCHEMBL7850086 0.85 MAPT (0.51) MAPTLMNALONP1SMN1; SMN2TSHR
SCHEMBL13319446 0.85 MAPT (0.51) MAPTLMNALONP1SMN1; SMN2TSHR

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-2114924-B1 CO-CRYSTALS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME VERTEX PHARMA (US) 2012-01-25 EP disclosed