SCHEMBL16719314

SCHEMBL16719314

Cn1ccnc1-n1cccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LPO P22079 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.40
▸ KMT2A Q03164 2/20 0.36
▸ BRD4 O60885 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ MAT2A P31153 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ HTT P42858 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ FDPS P14324 2/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ MAPT P10636 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ TSHR P16473 1/20 0.31

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
SCHEMBL12320460 0.71 LPO (0.40) LPOKDM4EKMT2AMEN1HTT
SCHEMBL14960644 0.70 BRD4 (0.41) LPOKDM4EKMT2ABRD4MAT2A
SCHEMBL6911091 0.70 LPO (0.39) LPOKDM4EBRD4MAT2AHTT
SCHEMBL14960628 0.68 LPO (0.41) LPOKDM4EKMT2ASMN1; SMN2ALDH1A1
SCHEMBL17463116 0.67 GPR3 (0.43) LPOKDM4EKMT2ABRD4MAT2A
SCHEMBL1682943 0.67 — —
SCHEMBL9540875 0.67 ALDH1A1 (0.42) LPOKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL12320540 0.67 HTR3E (0.41) LPOKMT2AMEN1GAA
SCHEMBL308400 0.66 LPO (0.55) LPOKDM4EKMT2ABRD4MEN1
Hydrochloric Acid SCHEMBL29629263 0.66 ALDH1A1 (0.41) LPOKDM4ESMN1; SMN2ALDH1A1LMNA

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
Send feedback