SCHEMBL19171978

SCHEMBL19171978

COC(=O)CN(CCN(CCN1CC(=O)OC(=O)C1)CC(=O)O)Cc1ccc(N)cc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 15/20 0.35
CA2 P00918 15/20 0.35
CA4 P22748 7/20 0.35
NR1D1 P20393 1/20 0.33
MAPT P10636 1/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
TLR7 Q9NYK1 1/20 0.30
PPARG P37231 2/20 0.30
PPARA Q07869 2/20 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
SCHEMBL19171033 0.96 NR1D1 (0.35) NR1D1MAPTTLR7
SCHEMBL19171492 0.90 SIGMAR1 (0.34) CA1CA2CA4NR1D1PPARG
SCHEMBL9715335 0.84 TDP1 (0.40) CA1CA2CA4CA12CA9
SCHEMBL19171459 0.81 RORC (0.35) NR1D1MAPT
SCHEMBL19171457 0.81 NR1D1 (0.32) NR1D1
SCHEMBL19172155 0.78 MEN1 (0.40) CA1CA2NR1D1MAPTCA12
SCHEMBL9152846 0.77 TDP1 (0.45) CA1CA2CA4
SCHEMBL110199 0.75 TDP1 (0.48) CA1CA2CA4CA12CA9
SCHEMBL124918 0.75 TDP1 (0.42) CA1CA2CA4
SCHEMBL6139485 0.74 TDP1 (0.37) CA1CA2CA4MAPTCA12

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-2017127684-A1 METHODS FOR RAPID ANTIMICROBIAL SUSCEPTIBILITY TESTING SeLux Diagnostics, Inc. (US) 2017-07-27 WO disclosed