SCHEMBL16720064

SCHEMBL16720064

Fc1cccc(-c2ccn[c]n2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.45
IDO1 P14902 2/20 0.45
KDM4E B2RXH2 2/20 0.44
NISCH Q9Y2I1 1/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
GRM5 P41594 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP17A1 P05093 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
ESR2 Q92731 1/20 0.39
MAP4K4 O95819 2/20 0.39
HPGDS O60760 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL15477525 0.79 KMO (0.45) KMOIDO1MAOBPIM1NOTUM
SCHEMBL11107619 0.79 METAP2 (0.45)
SCHEMBL16720101 0.79 HSD17B1 (0.52) CYP17A1CYP3A4CYP11B1CYP11B2ESR2
SCHEMBL557899 0.77 KMT2A (0.41) IDO1NISCHMEN1KMT2AALDH1A1
SCHEMBL3654046 0.71 CYP1A2 (0.47) KDM4ENISCHMEN1MAPTKMT2A
SCHEMBL8879424 0.71 KMO (0.45) KMOMEN1KMT2ACYP3A4MAOB
SCHEMBL11108637 0.71 MAPT (0.47) KDM4EMAPTALDH1A1CYP3A4CYP11B1
SCHEMBL989535 0.70 CYP2A6 (0.52) KDM4ENISCHMAPTALDH1A1CYP3A4
SCHEMBL29470232 0.70 MEN1 (0.58) KMOIDO1KDM4EMEN1MAPT
SCHEMBL1897911 0.69 TAAR1 (0.48) IDO1KDM4ENISCHMEN1MAPT

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