SCHEMBL19686499

SCHEMBL19686499

COC(=O)c1cc(NC2CCCC(F)(F)C2)nc(-n2nc(C)cc2C)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN2 Q9H2S1 1/20 0.52
KCNN3 Q9UGI6 1/20 0.52
NR2F2 P24468 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
ADORA2A P29274 15/20 0.42
ADORA1 P30542 15/20 0.42
LMNA P02545 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
S1PR2 O95136 1/20 0.42
ALDH1A1 P00352 1/20 0.42
XBP1 P17861 1/20 0.42
PPP1CA P62136 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP1A2 P05177 2/20 0.41
ADORA3 P0DMS8 1/20 0.41

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
SCHEMBL19687165 0.92 NPSR1 (0.51) KCNN2KCNN3NR2F2NPSR1MAPK1
SCHEMBL19686503 0.92 KCNN2 (0.54) KCNN2KCNN3NR2F2NPSR1MAPK1
SCHEMBL19686505 0.91 KCNN2 (0.53) KCNN2KCNN3NR2F2NPSR1MAPK1
SCHEMBL19687166 0.90 KCNN2 (0.48) KCNN2KCNN3NR2F2NPSR1MAPK1
SCHEMBL19686500 0.90 KCNN2 (0.53) KCNN2KCNN3NR2F2NPSR1MAPK1
SCHEMBL21144101 0.90 KCNN2 (0.53) KCNN2KCNN3NR2F2NPSR1MAPK1
SCHEMBL19686498 0.89 KCNN2 (0.48) KCNN2KCNN3NR2F2NPSR1MAPK1
SCHEMBL19687168 0.89 KCNN2 (0.53) KCNN2KCNN3NR2F2NPSR1MAPK1
SCHEMBL19687176 0.86 NPSR1 (0.48) KCNN2KCNN3NR2F2NPSR1MAPK1
SCHEMBL19686508 0.85 KCNN2 (0.50) KCNN2KCNN3ADORA2AADORA1CYP1A2

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