SCHEMBL19687250

SCHEMBL19687250

CCOC(=O)N1CC(Oc2cc(NC3CCC(F)(F)CC3)nc(-n3cc(C)c(CF)n3)n2)C1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 5/20 0.35
NOS1 P29475 4/20 0.35
NOS3 P29474 2/20 0.35
MAPT P10636 3/20 0.33
POLB P06746 1/20 0.33
HSD17B10 Q99714 1/20 0.33
IDH1 O75874 2/20 0.33
IDH2 P48735 1/20 0.33
MAP4K4 O95819 1/20 0.32
ALDH1A1 P00352 2/20 0.31
USP2 O75604 1/20 0.31
P2RY12 Q9H244 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL19687248 0.95 IDH1 (0.33) NOS2NOS1NOS3IDH1IDH2
SCHEMBL19687402 0.91 IDH1 (0.32) IDH1IDH2
SCHEMBL19687441 0.90 NAMPT (0.31) IDH1IDH2
SCHEMBL19687219 0.90 IDH1 (0.33) NOS2NOS1NOS3IDH1IDH2
SCHEMBL21143980 0.86 IDH1 (0.33) IDH1IDH2
SCHEMBL19687504 0.86 IDH1 (0.37) IDH1IDH2
SCHEMBL31127084 0.86 IDH1 (0.37) IDH1IDH2
SCHEMBL31127042 0.86 NOS2 (0.37) NOS2NOS1NOS3MAPTPOLB
SCHEMBL19686327 0.86 NOS2 (0.37) NOS2NOS1NOS3MAPTPOLB
SCHEMBL19687401 0.85 IDH1 (0.37) IDH1IDH2

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-2017139697-A9 BACTERIA ENGINEERED TO TREAT DISEASES ASSOCIATED WITH HYPERAMMONEMIA SYNLOGIC, INC. (US) 2017-12-07 WO disclosed