SCHEMBL16720366

SCHEMBL16720366

CC(=O)c1cn(-c2cccc(F)c2)c2c[c]ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.47
SCN2B O60939 3/20 0.43
SCN1B Q07699 3/20 0.43
SCN5A Q14524 3/20 0.43
SCN9A Q15858 3/20 0.43
SCN1A P35498 2/20 0.40
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 1/20 0.38
NOD2 Q9HC29 1/20 0.38
NOTUM Q6P988 1/20 0.37
RORC P51449 3/20 0.36
KMT2A Q03164 1/20 0.36
NR4A2 P43354 1/20 0.35
TP53 P04637 1/20 0.34
DHODH Q02127 1/20 0.34
TNF P01375 1/20 0.33
GALR3 O60755 1/20 0.33

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
SCHEMBL16719653 0.86 KCNH2 (0.38) KCNH2ALDH1A1RAB9ANPC1NOD2
SCHEMBL16720863 0.84 NR4A2 (0.49) KCNH2ALDH1A1L3MBTL1RAB9APOLB
SCHEMBL16720618 0.74 KCNH2 (0.37) KCNH2ALDH1A1
SCHEMBL694175 0.73 SCN2B (0.49) KCNH2SCN2BSCN1BSCN5ASCN9A
SCHEMBL6840250 0.71 RORC (0.57) ALDH1A1NOTUMRORCNR4A2TNF
SCHEMBL16720670 0.69 HTR3A (0.36) KCNH2ALDH1A1RAB9ANPC1NOD2
SCHEMBL16719992 0.68 HPGDS (0.36) KCNH2KMT2A
SCHEMBL17176663 0.68 HTR3A (0.56) KCNH2ALDH1A1RAB9ANOTUMRORC
SCHEMBL16720198 0.67 MAP2K1 (0.43) KMT2A
SCHEMBL17176538 0.67 NR4A2 (0.69) KCNH2ALDH1A1RAB9APOLBNPC1

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