SCHEMBL16720573

SCHEMBL16720573

COc1[c]cccc1-c1cscn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.36
METAP1 P53582 2/20 0.36
SCN9A Q15858 1/20 0.35
IDO1 P14902 4/20 0.34
POLB P06746 1/20 0.34
TDO2 P48775 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 1/20 0.33
ECE1 P42892 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP1A2 P05177 2/20 0.32
KDM4E B2RXH2 2/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL16720677 0.81 SCN9A (0.35) METAP2METAP1SCN9AIDO1TDO2
SCHEMBL6607926 0.79 METAP1 (0.39) METAP2METAP1SCN9AIDO1TDO2
SCHEMBL9044447 0.79 IDO1 (0.36) METAP2METAP1SCN9AIDO1TDO2
SCHEMBL16719424 0.76 ECE1 (0.38) METAP2METAP1ECE1TSHRPDE10A
SCHEMBL16719785 0.75 ECE1 (0.37) METAP2METAP1SCN9ANPC1RAB9A
SCHEMBL7109285 0.74
SCHEMBL4522711 0.73 CYP19A1 (0.51) METAP2METAP1SCN9ANPC1RAB9A
SCHEMBL8205927 0.72 CYP2A6 (0.39) NPC1CYP3A4CYP2C19
SCHEMBL7447711 0.72 ALDH1A1 (0.38) METAP2POLBCYP19A1KDM4ECYP3A4
SCHEMBL16720204 0.72 KDM4E (0.38) METAP2METAP1SCN9AIDO1TDO2

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