SCHEMBL5014191

SCHEMBL5014191

CC(C)(C)OC(=O)NC(CCCCNC(=O)C(F)(F)F)c1nc(C(=O)O)co1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
C3AR1 Q16581 2/20 0.46
MEN1 O00255 11/20 0.44
KMT2A Q03164 11/20 0.44
ALDH1A1 P00352 4/20 0.40
CA14 Q9ULX7 1/20 0.37
TDP1 Q9NUW8 3/20 0.36
ATM Q13315 1/20 0.36
GAA P10253 1/20 0.36
POLB P06746 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 2/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 1/20 0.35
CTSK P43235 1/20 0.35
SMN1; SMN2 Q16637 1/20 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
SCHEMBL5062951 0.91 MAPT (0.49) MAPTC3AR1MEN1KMT2AALDH1A1
SCHEMBL10045814 0.81 MAPT (0.69) MAPTMEN1KMT2ATDP1POLB
SCHEMBL5015675 0.79 MAPT (0.59) MAPTC3AR1MEN1KMT2AALDH1A1
SCHEMBL12980652 0.79 C3AR1 (0.49) MAPTC3AR1MEN1KMT2AALDH1A1
SCHEMBL16602128 0.79 C3AR1 (0.49) MAPTC3AR1MEN1KMT2AALDH1A1
SCHEMBL800900 0.79 MEN1 (0.46) MAPTC3AR1MEN1KMT2ATDP1
SCHEMBL7723269 0.77 MAPT (0.48) MAPTC3AR1MEN1KMT2AALDH1A1
SCHEMBL5014051 0.74 ALDH1A1 (0.58) MAPTC3AR1MEN1KMT2AALDH1A1
SCHEMBL10045813 0.74 MAPT (0.67) MAPTMEN1KMT2ATDP1POLB
SCHEMBL10045820 0.74 MAPT (0.61) MAPTMEN1KMT2ATDP1POLB

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-2008009942-A1 HETEROAROMATIC-BASED PEPTIDE MACROCYCLES AS G-QUADRUPLEX LIGANDS CAMBRIDGE ENTERPRISE LTD. (GB) 2008-01-24 WO disclosed