SCHEMBL16719785

SCHEMBL16719785

COc1ccc[c]c1-c1cscn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36
METAP2 P50579 2/20 0.36
METAP1 P53582 2/20 0.36
P2RX3 P56373 2/20 0.35
CYP19A1 P11511 1/20 0.35
SCN9A Q15858 1/20 0.35
HCRTR1 O43613 3/20 0.34
HCRTR2 O43614 3/20 0.34
PDE10A Q9Y233 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 1/20 0.33
APLNR P35414 2/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 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
SCHEMBL16720290 0.82 SCN9A (0.36) CYP1A2METAP2METAP1SCN9ANPC1
SCHEMBL16719913 0.79 ECE1 (0.39) ECE1CYP1A2CYP1A1CYP1B1METAP2
SCHEMBL16720259 0.76 KDM4E (0.34) CYP1A2METAP2METAP1CYP19A1NPC1
SCHEMBL2885322 0.75 CA1 (0.50) SMN1; SMN2KDM4EMAPTCA12CA1
SCHEMBL16720573 0.75 METAP2 (0.36) ECE1CYP1A2CYP1A1CYP1B1METAP2
SCHEMBL4522711 0.73 CYP19A1 (0.51) METAP2METAP1CYP19A1SCN9ANPC1
SCHEMBL16720601 0.73 IDO1 (0.33) CYP1A2METAP2METAP1NPC1RAB9A
SCHEMBL16720102 0.72 MAPT (0.33) CYP1A2METAP2METAP1NPC1RAB9A
SCHEMBL16719856 0.70 SMN1; SMN2 (0.41) CYP1A2NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL6607926 0.69 METAP1 (0.39) CYP1A2METAP2METAP1SCN9AHCRTR1

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