SCHEMBL16719607

SCHEMBL16719607

CN(C)c1nc[c]cc1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 1/20 0.42
▸ POLB P06746 2/20 0.36
▸ CKS1B P61024 1/20 0.35
▸ SKP1 P63208 1/20 0.35
▸ SKP2 Q13309 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MITF O75030 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ PSMB5 P28074 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ CSNK1D P48730 1/20 0.33
▸ MAPK11 Q15759 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
SCHEMBL16719942 0.84 MAPT (0.40) SMN1; SMN2LMNANPC1RAB9ACSNK1D
SCHEMBL16720397 0.81 HSD17B1 (0.40) LRRK2ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL16720442 0.81 PIM1 (0.37) LRRK2KDM4EHTR7CLK4HPGD
SCHEMBL27034975 0.72 SMARCA2 (0.41) LRRK2KDM4ELMNAALDH1A1NPC1
SCHEMBL16719849 0.71 SQOR (0.44) POLBKDM4ESMN1; SMN2ALDH1A1NPC1
SCHEMBL16720031 0.70 BRAF (0.40) POLBMEN1KMT2A
SCHEMBL1450726 0.67 — —
SCHEMBL19212284 0.64 CYP1A2 (0.33) LRRK2POLBKDM4ELMNAALDH1A1
SCHEMBL6456879 0.63 CKS1B (0.41) LRRK2POLBCKS1BSKP1SKP2
SCHEMBL5802743 0.63 ADORA1 (0.51) LRRK2LMNAKMT2A

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
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