SCHEMBL19346992

SCHEMBL19346992

C#CCNC(=O)C(=O)c1c(C)c(C(O)Nc2ccc(F)c(F)c2)n(C)c1C

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
S1PR3 Q99500 1/20 0.32
TSHR P16473 1/20 0.32
PGR P06401 1/20 0.32
AR P10275 1/20 0.32
SLC10A1 Q14973 5/20 0.31
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 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
SCHEMBL19346901 0.90 SLC10A1 (0.35) PGRSLC10A1
SCHEMBL21889977 0.82 SLC10A1 (0.47) SLC10A1
SCHEMBL30035645 0.80 SLC10A1 (0.45) MAPTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL19332126 0.80 SLC10A1 (0.45) MAPTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL21889633 0.77
SCHEMBL22510932 0.76 SLC10A1 (0.33) PGRSLC10A1
SCHEMBL21890572 0.74 SLC10A1 (0.42) SLC10A1
SCHEMBL22511208 0.74 GRM4 (0.36) TSHRPGRSLC10A1
SCHEMBL26542958 0.73 SLC10A1 (0.36) NPC1RAB9ASLC10A1
SCHEMBL19332070 0.73 SLC10A1 (0.41) MAPTSMN1; SMN2TSHRSLC10A1LMNA

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-2017156255-A1 ELIMINATION OF HEPATITIS B VIRUS WITH ANTIVIRAL AGENTS EMORY UNIVERSITY (US) 2017-09-14 WO disclosed