SCHEMBL16719786

SCHEMBL16719786

COc1c[c]ccc1-c1cscn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ECE1 P42892 1/20 0.37
CYP1A1 P04798 2/20 0.36
CYP1B1 Q16678 2/20 0.36
CYP1A2 P05177 1/20 0.36
PDE10A Q9Y233 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.34
METAP2 P50579 1/20 0.33
METAP1 P53582 1/20 0.33
SCN9A Q15858 1/20 0.32
CYP19A1 P11511 1/20 0.32
IMPDH2 P12268 1/20 0.32
APLNR P35414 1/20 0.31
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
BDKRB2 P30411 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
SCHEMBL16720292 0.80 SCN9A (0.34) NPC1MAPTRAB9ASMN1; SMN2CYP1A2
SCHEMBL7855621 0.79 TSHR (0.36) NPC1RAB9ASMN1; SMN2CYP1A2KDM4E
SCHEMBL4522711 0.77 CYP19A1 (0.51) NPC1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL16720261 0.76 CASP6 (0.35) NPC1RAB9ASMN1; SMN2CYP1A2KDM4E
SCHEMBL7508479 0.76 CASP6 (0.35) NPC1RAB9ASMN1; SMN2CYP1A2KDM4E
SCHEMBL6541679 0.75 CA1 (0.38) MAPTKDM4E
SCHEMBL6511340 0.73 MAPT (0.41) NPC1MAPTRAB9ASMN1; SMN2ECE1
SCHEMBL14754488 0.73 CYP1A1 (0.59) NPC1MAPTRAB9ASMN1; SMN2CYP1A1
SCHEMBL16720602 0.73 IDO1 (0.33)
SCHEMBL16720103 0.72 CASP6 (0.33)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3068758-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE The Wistar Institute Of Anatomy And Biology (US) 2016-09-21 EP disclosed
WO-2015073864-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE THE WISAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2015-05-21 WO disclosed